REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3fyt_1_G DATA FIRST_RESID 6 DATA SEQUENCE LSLEELKKYK PKKTARPDFS DFWKKSLEEL RQVEAEPTLE SYDYPVKGVK DATA SEQUENCE VYRLTYQSFG HSKIEGFYAV PDQTGPHPAL VRFHGYNASY DGGIHDIVNW DATA SEQUENCE ALHGYATFGM LVRGQGGSED TSVTPGGHAL GWMTKGILSK DTYYYRGVYL DATA SEQUENCE DAVRALEVIQ SFPEVDEHRI GVIGGAQGGA LAIAAAALSD IPKVVVADYP DATA SEQUENCE YLSNFERAVD VALEQPYLEI NSYFRRNSDP KVEEKAFETL SYFDLINLAG DATA SEQUENCE WVKQPTLMAI GLIDKITPPS TVFAAYNHLE TDKDLKVYRY FGHEFIPAFQ DATA SEQUENCE TEKLSFLQKH LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 6 L C 0.000 176.773 176.870 -0.161 0.000 1.165 6 L CA 0.000 54.734 54.840 -0.177 0.000 0.813 6 L CB 0.000 41.904 42.059 -0.259 0.000 0.961 7 S N -0.021 115.588 115.700 -0.153 0.000 2.652 7 S HA 0.362 4.833 4.470 0.002 0.000 0.270 7 S C 0.651 175.139 174.600 -0.186 0.000 1.243 7 S CA -0.583 57.535 58.200 -0.135 0.000 0.999 7 S CB 1.568 64.709 63.200 -0.099 0.000 0.973 7 S HN 0.600 8.910 8.310 -0.000 0.000 0.544 8 L N 1.211 122.338 121.223 -0.159 0.000 2.013 8 L HA -0.105 4.237 4.340 0.002 0.000 0.212 8 L C 2.384 179.139 176.870 -0.191 0.000 1.073 8 L CA 2.028 56.756 54.840 -0.186 0.000 0.753 8 L CB -1.250 40.750 42.059 -0.099 0.000 0.890 8 L HN 0.928 9.158 8.230 -0.000 0.000 0.432 9 E N -0.787 119.340 120.200 -0.121 0.000 2.153 9 E HA -0.220 4.132 4.350 0.002 0.000 0.194 9 E C 1.992 178.530 176.600 -0.104 0.000 0.988 9 E CA 1.345 57.693 56.400 -0.088 0.000 0.811 9 E CB -0.055 29.611 29.700 -0.056 0.000 0.746 9 E HN 0.662 9.022 8.360 -0.000 0.000 0.466 10 E N 0.504 120.623 120.200 -0.135 0.000 2.112 10 E HA -0.106 4.245 4.350 0.002 0.000 0.190 10 E C 2.155 178.654 176.600 -0.169 0.000 0.979 10 E CA 0.440 56.765 56.400 -0.125 0.000 0.814 10 E CB 0.037 29.656 29.700 -0.135 0.000 0.762 10 E HN 0.211 8.571 8.360 -0.000 0.000 0.460 11 L N 1.165 122.179 121.223 -0.350 0.000 2.017 11 L HA -0.217 4.125 4.340 0.002 0.000 0.208 11 L C 2.275 178.870 176.870 -0.458 0.000 1.073 11 L CA 1.368 55.810 54.840 -0.664 0.000 0.745 11 L CB -0.311 40.878 42.059 -1.449 0.000 0.894 11 L HN 0.034 8.264 8.230 -0.000 0.000 0.432 12 K N -0.243 120.001 120.400 -0.259 0.000 2.280 12 K HA -0.135 4.186 4.320 0.002 0.000 0.202 12 K C 1.719 178.380 176.600 0.101 0.000 1.047 12 K CA 0.856 57.197 56.287 0.090 0.000 0.942 12 K CB 0.055 32.606 32.500 0.084 0.000 0.739 12 K HN 0.202 8.452 8.250 -0.000 0.000 0.457 13 K N -0.206 120.215 120.400 0.035 0.000 2.354 13 K HA 0.017 4.338 4.320 0.002 0.000 0.194 13 K C 0.045 176.687 176.600 0.070 0.000 1.038 13 K CA -0.066 56.243 56.287 0.037 0.000 1.052 13 K CB 0.131 32.639 32.500 0.013 0.000 0.861 13 K HN 0.071 8.321 8.250 -0.000 0.000 0.535 14 Y N 3.214 123.485 120.300 -0.048 0.000 2.650 14 Y HA -0.009 4.542 4.550 0.002 0.000 0.342 14 Y C -0.103 175.782 175.900 -0.025 0.000 1.110 14 Y CA 0.003 58.080 58.100 -0.038 0.000 1.438 14 Y CB 0.127 38.560 38.460 -0.045 0.000 1.181 14 Y HN -0.175 8.105 8.280 -0.000 0.000 0.526 15 K N 9.315 129.418 120.400 -0.495 0.000 2.803 15 K HA 0.313 4.634 4.320 0.002 0.000 0.229 15 K C -2.961 173.345 176.600 -0.490 0.000 1.084 15 K CA -1.694 54.254 56.287 -0.566 0.000 1.063 15 K CB 0.762 32.998 32.500 -0.441 0.000 1.254 15 K HN 0.427 8.677 8.250 -0.000 0.000 0.551 16 P HA 0.045 4.465 4.420 -0.000 0.000 0.272 16 P C -0.933 176.358 177.300 -0.016 0.000 1.223 16 P CA -0.195 62.755 63.100 -0.249 0.000 0.784 16 P CB 0.822 32.373 31.700 -0.247 0.000 0.923 17 K N 2.176 122.551 120.400 -0.041 0.000 2.448 17 K HA 0.072 4.393 4.320 0.002 0.000 0.278 17 K C 0.682 177.232 176.600 -0.083 0.000 1.009 17 K CA -0.009 56.258 56.287 -0.034 0.000 0.995 17 K CB 0.355 32.822 32.500 -0.055 0.000 0.917 17 K HN 0.347 8.597 8.250 -0.000 0.000 0.481 18 K N 0.936 121.254 120.400 -0.137 0.000 2.494 18 K HA -0.066 4.256 4.320 0.002 0.000 0.273 18 K C 1.055 177.519 176.600 -0.226 0.000 0.970 18 K CA 0.642 56.757 56.287 -0.288 0.000 0.963 18 K CB 0.306 32.595 32.500 -0.351 0.000 0.913 18 K HN 0.704 8.954 8.250 -0.000 0.000 0.502 19 T N -2.300 112.102 114.554 -0.254 0.000 3.084 19 T HA 0.248 4.599 4.350 0.002 0.000 0.270 19 T C 0.429 174.969 174.700 -0.266 0.000 1.008 19 T CA -0.550 61.432 62.100 -0.198 0.000 0.900 19 T CB 0.436 69.230 68.868 -0.123 0.000 1.084 19 T HN 0.523 8.763 8.240 -0.000 0.000 0.538 20 A N 2.088 124.672 122.820 -0.393 0.000 2.520 20 A HA 0.554 4.875 4.320 0.002 0.000 0.245 20 A C 0.504 177.914 177.584 -0.291 0.000 1.072 20 A CA -0.292 51.448 52.037 -0.495 0.000 0.761 20 A CB 0.076 18.532 19.000 -0.907 0.000 1.004 20 A HN 0.411 8.561 8.150 -0.000 0.000 0.499 21 R N 2.485 122.819 120.500 -0.277 0.000 2.637 21 R HA 0.336 4.678 4.340 0.002 0.000 0.269 21 R C -1.693 174.628 176.300 0.034 0.000 1.089 21 R CA -1.722 54.307 56.100 -0.118 0.000 1.177 21 R CB -0.312 29.924 30.300 -0.107 0.000 1.091 21 R HN 0.450 8.720 8.270 -0.000 0.000 0.540 22 P HA -0.132 4.288 4.420 -0.000 0.000 0.218 22 P C -0.166 177.239 177.300 0.174 0.000 1.146 22 P CA 1.334 64.493 63.100 0.100 0.000 0.813 22 P CB 0.162 31.905 31.700 0.071 0.000 0.778 23 D N -2.216 118.319 120.400 0.226 0.000 2.388 23 D HA -0.019 4.622 4.640 0.002 0.000 0.221 23 D C 1.381 177.930 176.300 0.415 0.000 1.133 23 D CA -0.571 53.589 54.000 0.268 0.000 0.831 23 D CB -1.072 39.851 40.800 0.206 0.000 0.962 23 D HN 0.108 8.478 8.370 -0.000 0.000 0.502 24 F N 1.758 121.885 119.950 0.295 0.000 2.065 24 F HA -0.259 4.269 4.527 0.002 0.000 0.298 24 F C 2.422 178.543 175.800 0.535 0.000 1.112 24 F CA 1.887 60.121 58.000 0.389 0.000 1.212 24 F CB -0.322 38.768 39.000 0.151 0.000 0.975 24 F HN 0.050 8.350 8.300 -0.000 0.000 0.476 25 S N -0.085 116.026 115.700 0.684 0.000 2.359 25 S HA -0.220 4.252 4.470 0.002 0.000 0.224 25 S C 1.852 176.651 174.600 0.332 0.000 1.035 25 S CA 1.771 60.349 58.200 0.631 0.000 1.018 25 S CB -0.672 62.843 63.200 0.525 0.000 0.876 25 S HN 0.508 8.818 8.310 -0.000 0.000 0.448 26 D N 0.340 120.886 120.400 0.242 0.000 2.117 26 D HA -0.111 4.531 4.640 0.002 0.000 0.197 26 D C 1.649 177.978 176.300 0.049 0.000 0.987 26 D CA 1.083 55.158 54.000 0.126 0.000 0.829 26 D CB -0.536 40.332 40.800 0.114 0.000 0.961 26 D HN 0.515 8.885 8.370 -0.000 0.000 0.460 27 F N 0.433 120.317 119.950 -0.110 0.000 2.091 27 F HA -0.224 4.304 4.527 0.002 0.000 0.299 27 F C 2.047 177.590 175.800 -0.428 0.000 1.103 27 F CA 1.570 59.350 58.000 -0.368 0.000 1.228 27 F CB -0.663 37.946 39.000 -0.653 0.000 0.984 27 F HN -0.024 8.276 8.300 -0.000 0.000 0.477 28 W N 0.905 121.996 121.300 -0.348 0.000 2.418 28 W HA -0.077 4.584 4.660 0.002 0.000 0.292 28 W C 2.623 178.977 176.519 -0.276 0.000 1.213 28 W CA 0.976 58.085 57.345 -0.393 0.000 1.283 28 W CB -0.415 28.992 29.460 -0.089 0.000 1.119 28 W HN -0.141 8.039 8.180 -0.000 0.000 0.542 29 K N 1.628 122.050 120.400 0.037 0.000 2.063 29 K HA -0.201 4.120 4.320 0.002 0.000 0.208 29 K C 1.467 178.027 176.600 -0.067 0.000 1.048 29 K CA 1.582 57.860 56.287 -0.015 0.000 0.928 29 K CB -0.288 32.208 32.500 -0.006 0.000 0.713 29 K HN 0.173 8.423 8.250 -0.000 0.000 0.442 30 K N 0.074 120.397 120.400 -0.127 0.000 2.167 30 K HA 0.019 4.340 4.320 0.002 0.000 0.203 30 K C 2.269 178.765 176.600 -0.173 0.000 1.052 30 K CA 1.013 57.222 56.287 -0.131 0.000 0.956 30 K CB 0.074 32.500 32.500 -0.123 0.000 0.735 30 K HN 0.048 8.298 8.250 -0.000 0.000 0.451 31 S N 1.572 117.070 115.700 -0.337 0.000 2.368 31 S HA -0.051 4.420 4.470 0.002 0.000 0.224 31 S C 1.891 176.422 174.600 -0.115 0.000 1.029 31 S CA 0.968 58.959 58.200 -0.348 0.000 0.988 31 S CB -0.161 62.628 63.200 -0.686 0.000 0.838 31 S HN 0.184 8.494 8.310 -0.000 0.000 0.462 32 L N 1.084 122.277 121.223 -0.050 0.000 2.083 32 L HA -0.115 4.226 4.340 0.002 0.000 0.209 32 L C 2.674 179.541 176.870 -0.006 0.000 1.083 32 L CA 1.234 56.073 54.840 -0.001 0.000 0.752 32 L CB -0.414 41.646 42.059 0.002 0.000 0.899 32 L HN 0.259 8.489 8.230 -0.000 0.000 0.433 33 E N 0.613 120.800 120.200 -0.021 0.000 2.106 33 E HA -0.249 4.102 4.350 0.002 0.000 0.192 33 E C 1.991 178.596 176.600 0.008 0.000 0.984 33 E CA 1.291 57.684 56.400 -0.012 0.000 0.806 33 E CB 0.022 29.709 29.700 -0.021 0.000 0.750 33 E HN 0.374 8.734 8.360 -0.000 0.000 0.458 34 E N -0.744 119.472 120.200 0.027 0.000 2.204 34 E HA -0.135 4.216 4.350 0.002 0.000 0.194 34 E C 1.901 178.563 176.600 0.103 0.000 0.989 34 E CA 0.761 57.205 56.400 0.073 0.000 0.824 34 E CB -0.064 29.729 29.700 0.154 0.000 0.756 34 E HN 0.296 8.656 8.360 -0.000 0.000 0.477 35 L N 0.917 122.215 121.223 0.123 0.000 2.072 35 L HA -0.067 4.275 4.340 0.002 0.000 0.205 35 L C 2.277 179.171 176.870 0.040 0.000 1.079 35 L CA 1.574 56.489 54.840 0.125 0.000 0.752 35 L CB -0.299 41.828 42.059 0.112 0.000 0.906 35 L HN -0.074 8.156 8.230 -0.000 0.000 0.436 36 R N -0.825 119.687 120.500 0.019 0.000 2.241 36 R HA -0.143 4.198 4.340 0.002 0.000 0.224 36 R C 1.893 178.191 176.300 -0.003 0.000 1.101 36 R CA 1.054 57.154 56.100 -0.001 0.000 0.995 36 R CB -0.068 30.227 30.300 -0.008 0.000 0.870 36 R HN 0.555 8.825 8.270 -0.000 0.000 0.463 37 Q N -0.094 119.703 119.800 -0.005 0.000 2.230 37 Q HA -0.004 4.337 4.340 0.002 0.000 0.202 37 Q C 0.327 176.319 176.000 -0.014 0.000 0.963 37 Q CA 0.639 56.436 55.803 -0.009 0.000 0.866 37 Q CB 0.216 28.944 28.738 -0.016 0.000 0.931 37 Q HN 0.116 8.386 8.270 -0.000 0.000 0.452 38 V N 2.679 122.564 119.914 -0.049 0.000 2.406 38 V HA 0.085 4.206 4.120 0.002 0.000 0.272 38 V C 0.483 176.585 176.094 0.013 0.000 1.043 38 V CA -0.467 61.800 62.300 -0.056 0.000 0.915 38 V CB 1.463 33.176 31.823 -0.183 0.000 0.988 38 V HN 0.061 8.251 8.190 -0.000 0.000 0.466 39 E N 2.814 123.045 120.200 0.052 0.000 2.344 39 E HA 0.213 4.565 4.350 0.002 0.000 0.270 39 E C 1.049 177.684 176.600 0.059 0.000 1.021 39 E CA 0.331 56.758 56.400 0.045 0.000 0.887 39 E CB 1.795 31.525 29.700 0.049 0.000 0.997 39 E HN 0.767 9.127 8.360 -0.000 0.000 0.429 40 A N 4.286 127.129 122.820 0.038 0.000 1.877 40 A HA -0.204 4.117 4.320 0.002 0.000 0.216 40 A C 0.631 178.268 177.584 0.088 0.000 1.186 40 A CA 1.372 53.445 52.037 0.060 0.000 0.620 40 A CB -0.404 18.581 19.000 -0.025 0.000 0.822 40 A HN 0.889 9.039 8.150 -0.000 0.000 0.443 41 E N -0.777 119.456 120.200 0.055 0.000 2.269 41 E HA -0.153 4.198 4.350 0.002 0.000 0.223 41 E C -2.158 174.484 176.600 0.071 0.000 1.244 41 E CA 0.292 56.725 56.400 0.054 0.000 0.713 41 E CB -1.749 27.985 29.700 0.056 0.000 1.178 41 E HN 0.650 9.010 8.360 -0.000 0.000 0.370 42 P HA -0.033 4.387 4.420 -0.000 0.000 0.268 42 P C -0.029 177.309 177.300 0.062 0.000 1.205 42 P CA 0.470 63.628 63.100 0.098 0.000 0.771 42 P CB 1.165 32.917 31.700 0.086 0.000 0.858 43 T N 0.138 114.728 114.554 0.060 0.000 2.907 43 T HA 0.664 5.015 4.350 0.002 0.000 0.292 43 T C -1.015 173.704 174.700 0.031 0.000 1.043 43 T CA -0.846 61.276 62.100 0.035 0.000 1.003 43 T CB 1.392 70.285 68.868 0.041 0.000 1.084 43 T HN 0.212 8.452 8.240 -0.000 0.000 0.483 44 L N 1.299 122.532 121.223 0.016 0.000 2.470 44 L HA 0.576 4.917 4.340 0.002 0.000 0.268 44 L C -0.939 176.008 176.870 0.128 0.000 0.964 44 L CA -0.353 54.505 54.840 0.030 0.000 0.839 44 L CB 2.003 43.966 42.059 -0.160 0.000 1.276 44 L HN 0.909 9.139 8.230 -0.000 0.000 0.403 45 E N 2.067 122.418 120.200 0.252 0.000 2.238 45 E HA 0.519 4.870 4.350 0.002 0.000 0.267 45 E C -0.835 176.032 176.600 0.446 0.000 0.887 45 E CA -0.824 55.750 56.400 0.290 0.000 0.769 45 E CB 1.880 31.714 29.700 0.224 0.000 1.187 45 E HN 0.480 8.840 8.360 -0.000 0.000 0.416 46 S N 1.580 117.490 115.700 0.350 0.000 2.562 46 S HA 0.131 4.602 4.470 0.002 0.000 0.281 46 S C -1.032 173.687 174.600 0.200 0.000 1.333 46 S CA -0.047 58.257 58.200 0.173 0.000 1.052 46 S CB 0.143 63.395 63.200 0.086 0.000 0.884 46 S HN 0.378 8.688 8.310 -0.000 0.000 0.506 47 Y N 1.850 122.130 120.300 -0.035 0.000 2.373 47 Y HA 0.259 4.810 4.550 0.002 0.000 0.336 47 Y C -0.793 175.107 175.900 -0.000 0.000 0.979 47 Y CA -1.075 57.058 58.100 0.055 0.000 1.080 47 Y CB 1.009 39.579 38.460 0.184 0.000 1.190 47 Y HN 0.538 8.818 8.280 -0.000 0.000 0.446 48 D N 5.129 125.279 120.400 -0.416 0.000 2.348 48 D HA 0.094 4.735 4.640 0.002 0.000 0.253 48 D C -1.369 174.801 176.300 -0.216 0.000 1.161 48 D CA 0.827 54.666 54.000 -0.269 0.000 0.876 48 D CB 0.979 41.630 40.800 -0.248 0.000 1.160 48 D HN 0.564 8.934 8.370 -0.000 0.000 0.459 49 Y N 2.915 123.114 120.300 -0.168 0.000 2.441 49 Y HA 0.218 4.770 4.550 0.002 0.000 0.334 49 Y C -2.254 173.606 175.900 -0.067 0.000 1.061 49 Y CA -2.047 55.996 58.100 -0.094 0.000 1.032 49 Y CB 2.054 40.490 38.460 -0.041 0.000 1.266 49 Y HN 0.164 8.444 8.280 -0.000 0.000 0.441 50 P HA 0.074 4.494 4.420 -0.000 0.000 0.245 50 P C -0.903 176.378 177.300 -0.032 0.000 1.670 50 P CA 0.701 63.675 63.100 -0.210 0.000 1.146 50 P CB 0.159 31.678 31.700 -0.301 0.000 1.954 51 V N 1.595 121.590 119.914 0.136 0.000 2.971 51 V HA 0.456 4.577 4.120 0.002 0.000 0.309 51 V C -0.937 175.197 176.094 0.067 0.000 1.130 51 V CA -1.111 61.287 62.300 0.163 0.000 0.964 51 V CB 3.105 35.105 31.823 0.295 0.000 1.029 51 V HN 0.238 8.428 8.190 -0.000 0.000 0.427 52 K N 3.749 124.170 120.400 0.035 0.000 2.206 52 K HA 0.643 4.964 4.320 0.002 0.000 0.264 52 K C 0.582 177.180 176.600 -0.002 0.000 0.967 52 K CA 0.371 56.662 56.287 0.008 0.000 0.844 52 K CB 1.333 33.831 32.500 -0.002 0.000 1.099 52 K HN 1.701 9.951 8.250 -0.000 0.000 0.441 53 G N 1.467 110.262 108.800 -0.009 0.000 2.143 53 G HA2 -0.191 3.770 3.960 0.002 0.000 0.249 53 G HA3 -0.191 3.770 3.960 0.002 0.000 0.249 53 G C -0.578 174.303 174.900 -0.031 0.000 0.981 53 G CA 0.158 45.247 45.100 -0.018 0.000 0.665 53 G HN 0.501 8.791 8.290 -0.000 0.000 0.528 54 V N 0.009 119.904 119.914 -0.032 0.000 2.808 54 V HA 0.532 4.654 4.120 0.002 0.000 0.308 54 V C -0.144 175.909 176.094 -0.067 0.000 1.099 54 V CA -1.163 61.103 62.300 -0.056 0.000 0.920 54 V CB 2.106 33.890 31.823 -0.065 0.000 1.014 54 V HN 0.245 8.435 8.190 -0.000 0.000 0.425 55 K N 2.887 123.237 120.400 -0.083 0.000 2.213 55 K HA 0.730 5.051 4.320 0.002 0.000 0.270 55 K C -1.117 175.320 176.600 -0.272 0.000 1.002 55 K CA -0.529 55.661 56.287 -0.162 0.000 0.868 55 K CB 2.132 34.599 32.500 -0.055 0.000 1.093 55 K HN 0.453 8.703 8.250 -0.000 0.000 0.454 56 V N 4.152 123.843 119.914 -0.371 0.000 2.483 56 V HA 0.454 4.576 4.120 0.002 0.000 0.295 56 V C -0.881 174.991 176.094 -0.369 0.000 1.035 56 V CA -0.763 61.396 62.300 -0.235 0.000 0.896 56 V CB 0.616 32.406 31.823 -0.055 0.000 0.986 56 V HN 0.619 8.809 8.190 -0.000 0.000 0.447 57 Y N 2.005 122.464 120.300 0.265 0.000 2.609 57 Y HA 0.750 5.301 4.550 0.002 0.000 0.342 57 Y C -0.115 176.018 175.900 0.387 0.000 1.058 57 Y CA -1.188 57.109 58.100 0.328 0.000 1.055 57 Y CB 1.783 40.423 38.460 0.300 0.000 1.292 57 Y HN 0.494 8.774 8.280 -0.000 0.000 0.476 58 R N 1.886 122.660 120.500 0.456 0.000 2.265 58 R HA 0.608 4.949 4.340 0.002 0.000 0.328 58 R C -2.078 174.356 176.300 0.223 0.000 0.969 58 R CA -0.599 55.621 56.100 0.200 0.000 0.832 58 R CB 0.659 31.008 30.300 0.081 0.000 1.139 58 R HN 0.635 8.905 8.270 -0.000 0.000 0.457 59 L N 3.985 125.345 121.223 0.228 0.000 2.322 59 L HA 0.718 5.059 4.340 0.002 0.000 0.281 59 L C -0.844 176.088 176.870 0.104 0.000 1.014 59 L CA 0.148 55.082 54.840 0.156 0.000 0.815 59 L CB 1.954 44.053 42.059 0.067 0.000 1.247 59 L HN 0.884 9.114 8.230 -0.000 0.000 0.421 60 T N 1.710 116.301 114.554 0.062 0.000 2.906 60 T HA 0.829 5.180 4.350 0.002 0.000 0.295 60 T C -0.901 173.847 174.700 0.079 0.000 1.075 60 T CA -0.453 61.643 62.100 -0.007 0.000 1.005 60 T CB 1.637 70.492 68.868 -0.022 0.000 1.136 60 T HN 0.780 9.020 8.240 -0.000 0.000 0.498 61 Y N -1.340 118.957 120.300 -0.005 0.000 2.677 61 Y HA 0.671 5.222 4.550 0.002 0.000 0.334 61 Y C -1.175 174.733 175.900 0.014 0.000 1.196 61 Y CA -1.501 56.590 58.100 -0.014 0.000 1.059 61 Y CB 0.914 39.337 38.460 -0.060 0.000 1.315 61 Y HN 0.546 8.826 8.280 -0.000 0.000 0.455 62 Q N 1.763 121.713 119.800 0.250 0.000 2.235 62 Q HA 0.616 4.957 4.340 0.002 0.000 0.250 62 Q C -0.687 175.459 176.000 0.244 0.000 0.909 62 Q CA -0.271 55.631 55.803 0.165 0.000 0.910 62 Q CB 2.043 30.863 28.738 0.137 0.000 1.223 62 Q HN 0.856 9.126 8.270 -0.000 0.000 0.432 63 S N 0.828 116.619 115.700 0.153 0.000 2.998 63 S HA 0.517 4.988 4.470 0.002 0.000 0.323 63 S C -0.972 173.683 174.600 0.092 0.000 1.141 63 S CA -0.677 57.632 58.200 0.183 0.000 0.873 63 S CB 0.352 63.711 63.200 0.265 0.000 1.315 63 S HN 0.467 8.777 8.310 -0.000 0.000 0.637 64 F N 2.295 122.238 119.950 -0.013 0.000 2.623 64 F HA 0.332 4.860 4.527 0.002 0.000 0.381 64 F C 1.574 177.326 175.800 -0.079 0.000 1.081 64 F CA 1.731 59.696 58.000 -0.059 0.000 1.293 64 F CB -0.171 38.821 39.000 -0.013 0.000 1.006 64 F HN 0.910 9.210 8.300 -0.000 0.000 0.578 65 G N 5.185 113.461 108.800 -0.873 0.000 2.187 65 G HA2 -0.366 3.595 3.960 0.002 0.000 0.261 65 G HA3 -0.366 3.595 3.960 0.002 0.000 0.261 65 G C 0.316 175.098 174.900 -0.197 0.000 1.000 65 G CA 0.441 45.174 45.100 -0.610 0.000 0.718 65 G HN 1.476 9.766 8.290 -0.000 0.000 0.519 66 H N -1.649 117.343 119.070 -0.130 0.000 2.862 66 H HA -0.164 4.393 4.556 0.002 0.000 0.290 66 H C 0.658 175.963 175.328 -0.039 0.000 1.211 66 H CA 1.175 57.187 56.048 -0.059 0.000 1.140 66 H CB -1.887 27.836 29.762 -0.064 0.000 1.341 66 H HN 0.596 8.876 8.280 -0.000 0.000 0.392 67 S N 0.689 116.411 115.700 0.037 0.000 2.537 67 S HA 0.236 4.707 4.470 0.002 0.000 0.275 67 S C 0.839 175.439 174.600 -0.001 0.000 1.272 67 S CA -0.706 57.508 58.200 0.023 0.000 1.050 67 S CB 2.113 65.326 63.200 0.022 0.000 0.961 67 S HN 0.300 8.610 8.310 -0.000 0.000 0.496 68 K N 4.078 124.465 120.400 -0.023 0.000 2.273 68 K HA 0.210 4.532 4.320 0.002 0.000 0.287 68 K C -0.642 175.870 176.600 -0.146 0.000 1.089 68 K CA -0.374 55.871 56.287 -0.071 0.000 0.909 68 K CB 0.058 32.533 32.500 -0.042 0.000 1.123 68 K HN 0.394 8.644 8.250 -0.000 0.000 0.473 69 I N 4.621 125.002 120.570 -0.316 0.000 2.396 69 I HA 0.208 4.379 4.170 0.002 0.000 0.292 69 I C 0.479 176.358 176.117 -0.398 0.000 0.999 69 I CA -0.289 60.767 61.300 -0.408 0.000 1.310 69 I CB 1.076 38.673 38.000 -0.671 0.000 1.404 69 I HN 0.775 8.985 8.210 -0.000 0.000 0.496 70 E N 3.931 124.032 120.200 -0.164 0.000 2.445 70 E HA 0.904 5.256 4.350 0.002 0.000 0.273 70 E C -0.656 175.977 176.600 0.056 0.000 0.961 70 E CA -1.143 55.230 56.400 -0.044 0.000 0.807 70 E CB 2.760 32.401 29.700 -0.098 0.000 1.362 70 E HN 0.701 9.061 8.360 -0.000 0.000 0.453 71 G N -0.153 108.697 108.800 0.082 0.000 2.325 71 G HA2 0.314 4.275 3.960 0.002 0.000 0.297 71 G HA3 0.314 4.275 3.960 0.002 0.000 0.297 71 G C -1.737 173.193 174.900 0.049 0.000 1.448 71 G CA -1.131 43.929 45.100 -0.066 0.000 0.838 71 G HN 0.330 8.620 8.290 -0.000 0.000 0.579 72 F N 0.190 120.196 119.950 0.093 0.000 2.389 72 F HA 0.587 5.115 4.527 0.002 0.000 0.337 72 F C 0.006 176.050 175.800 0.406 0.000 1.112 72 F CA -0.195 57.899 58.000 0.156 0.000 1.192 72 F CB 1.483 40.467 39.000 -0.027 0.000 1.185 72 F HN 0.475 8.775 8.300 -0.000 0.000 0.552 73 Y N 2.742 123.361 120.300 0.532 0.000 2.329 73 Y HA 0.677 5.229 4.550 0.002 0.000 0.328 73 Y C -1.100 175.041 175.900 0.402 0.000 0.992 73 Y CA -1.444 56.953 58.100 0.495 0.000 1.151 73 Y CB 0.885 39.637 38.460 0.486 0.000 1.150 73 Y HN 0.626 8.906 8.280 -0.000 0.000 0.450 74 A N 5.384 128.173 122.820 -0.052 0.000 2.330 74 A HA 0.871 5.192 4.320 0.002 0.000 0.327 74 A C -1.674 175.716 177.584 -0.324 0.000 1.155 74 A CA -0.640 51.301 52.037 -0.160 0.000 0.803 74 A CB 1.190 20.145 19.000 -0.074 0.000 1.208 74 A HN 0.547 8.697 8.150 -0.000 0.000 0.477 75 V N 3.061 122.825 119.914 -0.250 0.000 2.709 75 V HA 0.403 4.524 4.120 0.002 0.000 0.308 75 V C -2.601 173.391 176.094 -0.170 0.000 1.062 75 V CA -1.911 60.261 62.300 -0.214 0.000 0.901 75 V CB 2.066 33.808 31.823 -0.136 0.000 1.003 75 V HN 0.773 8.963 8.190 -0.000 0.000 0.425 76 P HA 0.073 4.493 4.420 -0.000 0.000 0.267 76 P C -0.672 176.521 177.300 -0.179 0.000 1.205 76 P CA 0.051 62.980 63.100 -0.284 0.000 0.765 76 P CB 0.310 31.711 31.700 -0.497 0.000 0.828 77 D N 4.229 124.588 120.400 -0.068 0.000 2.508 77 D HA 0.088 4.729 4.640 0.002 0.000 0.224 77 D C -0.392 175.931 176.300 0.038 0.000 1.171 77 D CA 0.235 54.237 54.000 0.003 0.000 1.006 77 D CB -0.395 40.405 40.800 -0.000 0.000 1.073 77 D HN 0.332 8.702 8.370 -0.000 0.000 0.513 78 Q N 0.114 119.978 119.800 0.108 0.000 2.791 78 Q HA 0.178 4.519 4.340 0.002 0.000 0.280 78 Q C -1.046 175.086 176.000 0.219 0.000 0.928 78 Q CA -1.168 54.716 55.803 0.136 0.000 0.819 78 Q CB -0.318 28.488 28.738 0.113 0.000 1.552 78 Q HN 0.180 8.450 8.270 -0.000 0.000 0.410 79 T N -0.378 114.241 114.554 0.108 0.000 2.908 79 T HA 0.419 4.770 4.350 0.002 0.000 0.301 79 T C 0.676 175.316 174.700 -0.099 0.000 1.019 79 T CA 0.496 62.612 62.100 0.027 0.000 1.152 79 T CB 0.559 69.429 68.868 0.003 0.000 0.966 79 T HN 0.766 9.006 8.240 -0.000 0.000 0.540 80 G N 3.200 111.793 108.800 -0.345 0.000 2.849 80 G HA2 0.644 4.605 3.960 0.002 0.000 0.174 80 G HA3 0.644 4.605 3.960 0.002 0.000 0.174 80 G C -2.280 172.443 174.900 -0.295 0.000 1.370 80 G CA -1.368 43.291 45.100 -0.735 0.000 1.040 80 G HN 0.701 8.991 8.290 -0.000 0.000 0.582 81 P HA 0.255 4.675 4.420 -0.000 0.000 0.269 81 P C -0.758 176.374 177.300 -0.281 0.000 1.209 81 P CA 0.154 63.112 63.100 -0.236 0.000 0.776 81 P CB 0.469 32.125 31.700 -0.073 0.000 0.876 82 H N 1.671 120.780 119.070 0.066 0.000 2.573 82 H HA 0.334 4.891 4.556 0.002 0.000 0.351 82 H C -2.179 173.202 175.328 0.088 0.000 1.163 82 H CA -2.117 53.968 56.048 0.061 0.000 1.205 82 H CB 1.010 30.817 29.762 0.075 0.000 1.605 82 H HN 0.336 8.616 8.280 -0.000 0.000 0.525 83 P HA 0.275 4.695 4.420 -0.000 0.000 0.274 83 P C -0.843 176.638 177.300 0.301 0.000 1.237 83 P CA -0.346 62.885 63.100 0.217 0.000 0.793 83 P CB 1.157 32.984 31.700 0.211 0.000 0.977 84 A N 2.351 125.317 122.820 0.243 0.000 2.423 84 A HA 0.812 5.133 4.320 0.002 0.000 0.304 84 A C -1.090 176.548 177.584 0.091 0.000 1.104 84 A CA -0.853 51.314 52.037 0.216 0.000 0.757 84 A CB 1.175 20.279 19.000 0.174 0.000 1.313 84 A HN 0.491 8.641 8.150 -0.000 0.000 0.423 85 L N 0.987 122.223 121.223 0.023 0.000 2.436 85 L HA 0.517 4.858 4.340 0.002 0.000 0.268 85 L C -1.197 175.579 176.870 -0.157 0.000 0.974 85 L CA -0.909 53.820 54.840 -0.185 0.000 0.826 85 L CB 2.248 44.020 42.059 -0.477 0.000 1.291 85 L HN 0.426 8.656 8.230 -0.000 0.000 0.406 86 V N 3.260 123.031 119.914 -0.239 0.000 2.347 86 V HA 0.424 4.545 4.120 0.002 0.000 0.280 86 V C 0.046 175.748 176.094 -0.654 0.000 1.021 86 V CA -0.531 61.566 62.300 -0.338 0.000 0.847 86 V CB 1.514 33.155 31.823 -0.303 0.000 0.990 86 V HN 0.677 8.867 8.190 -0.000 0.000 0.444 87 R N 4.715 124.834 120.500 -0.635 0.000 2.294 87 R HA 0.572 4.913 4.340 0.002 0.000 0.319 87 R C -1.544 174.386 176.300 -0.616 0.000 0.984 87 R CA -0.412 55.355 56.100 -0.554 0.000 0.861 87 R CB 0.859 30.970 30.300 -0.316 0.000 1.104 87 R HN 0.521 8.791 8.270 -0.000 0.000 0.451 88 F N 3.853 123.752 119.950 -0.086 0.000 2.436 88 F HA 0.275 4.803 4.527 0.002 0.000 0.340 88 F C 0.566 176.352 175.800 -0.024 0.000 1.113 88 F CA -0.896 57.045 58.000 -0.099 0.000 1.022 88 F CB 1.217 40.154 39.000 -0.106 0.000 1.128 88 F HN 0.679 8.979 8.300 -0.000 0.000 0.466 89 H N 0.409 119.594 119.070 0.192 0.000 2.509 89 H HA 0.710 5.267 4.556 0.002 0.000 0.359 89 H C 0.291 175.728 175.328 0.182 0.000 1.253 89 H CA -0.992 55.149 56.048 0.155 0.000 1.373 89 H CB 0.311 30.137 29.762 0.107 0.000 1.555 89 H HN 0.693 8.973 8.280 -0.000 0.000 0.586 90 G N -0.800 108.258 108.800 0.430 0.000 2.572 90 G HA2 0.128 4.089 3.960 0.002 0.000 0.261 90 G HA3 0.128 4.089 3.960 0.002 0.000 0.261 90 G C -1.097 174.055 174.900 0.420 0.000 1.197 90 G CA -0.764 44.558 45.100 0.369 0.000 0.870 90 G HN 0.738 9.028 8.290 -0.000 0.000 0.548 91 Y N 1.030 121.449 120.300 0.198 0.000 2.770 91 Y HA -0.064 4.487 4.550 0.002 0.000 0.342 91 Y C 1.366 177.383 175.900 0.195 0.000 1.221 91 Y CA 1.051 59.257 58.100 0.176 0.000 1.560 91 Y CB -0.004 38.492 38.460 0.060 0.000 1.213 91 Y HN 0.836 9.116 8.280 -0.000 0.000 0.525 92 N N 2.777 121.350 118.700 -0.211 0.000 2.714 92 N HA -0.263 4.479 4.740 0.002 0.000 0.250 92 N C -0.442 175.091 175.510 0.039 0.000 1.117 92 N CA 1.169 54.160 53.050 -0.099 0.000 0.719 92 N CB -1.135 37.357 38.487 0.008 0.000 1.081 92 N HN 0.710 9.090 8.380 -0.000 0.000 0.557 93 A N -1.195 121.688 122.820 0.104 0.000 2.574 93 A HA 0.428 4.749 4.320 0.002 0.000 0.283 93 A C 0.494 178.168 177.584 0.150 0.000 1.270 93 A CA 0.337 52.497 52.037 0.205 0.000 0.945 93 A CB 0.321 19.486 19.000 0.276 0.000 1.127 93 A HN 0.379 8.529 8.150 -0.000 0.000 0.522 94 S N 0.158 115.765 115.700 -0.155 0.000 2.429 94 S HA 0.643 5.114 4.470 0.002 0.000 0.302 94 S C -1.337 173.198 174.600 -0.109 0.000 1.115 94 S CA -0.221 57.836 58.200 -0.238 0.000 1.095 94 S CB 0.099 62.824 63.200 -0.792 0.000 0.987 94 S HN 0.285 8.595 8.310 -0.000 0.000 0.474 95 Y N 2.686 122.951 120.300 -0.058 0.000 2.328 95 Y HA 0.301 4.853 4.550 0.002 0.000 0.336 95 Y C 0.478 176.392 175.900 0.022 0.000 0.960 95 Y CA -0.927 57.172 58.100 -0.001 0.000 1.134 95 Y CB 1.233 39.714 38.460 0.034 0.000 1.166 95 Y HN 0.695 8.975 8.280 -0.000 0.000 0.464 96 D N 2.705 123.188 120.400 0.138 0.000 2.737 96 D HA -0.188 4.453 4.640 0.002 0.000 0.233 96 D C 1.341 177.756 176.300 0.190 0.000 1.155 96 D CA 1.875 55.964 54.000 0.148 0.000 0.667 96 D CB -1.017 39.871 40.800 0.147 0.000 1.060 96 D HN 1.089 9.459 8.370 -0.000 0.000 0.427 97 G N -1.165 107.709 108.800 0.123 0.000 2.187 97 G HA2 -0.112 3.849 3.960 0.002 0.000 0.261 97 G HA3 -0.112 3.849 3.960 0.002 0.000 0.261 97 G C 1.150 176.160 174.900 0.183 0.000 1.000 97 G CA 0.972 46.160 45.100 0.146 0.000 0.718 97 G HN 1.615 9.905 8.290 -0.000 0.000 0.519 98 G N -0.602 108.272 108.800 0.124 0.000 2.361 98 G HA2 -0.311 3.650 3.960 0.002 0.000 0.294 98 G HA3 -0.311 3.650 3.960 0.002 0.000 0.294 98 G C 1.204 176.135 174.900 0.050 0.000 1.004 98 G CA 0.932 46.096 45.100 0.107 0.000 0.870 98 G HN 1.603 9.893 8.290 -0.000 0.000 0.510 99 I N -0.857 119.667 120.570 -0.076 0.000 2.208 99 I HA -0.248 3.923 4.170 0.002 0.000 0.245 99 I C 2.533 178.459 176.117 -0.319 0.000 1.097 99 I CA 1.928 63.017 61.300 -0.353 0.000 1.363 99 I CB -0.099 37.390 38.000 -0.853 0.000 1.051 99 I HN 0.446 8.656 8.210 -0.000 0.000 0.413 100 H N 0.999 120.056 119.070 -0.021 0.000 2.319 100 H HA -0.174 4.383 4.556 0.002 0.000 0.299 100 H C 1.842 177.148 175.328 -0.037 0.000 1.092 100 H CA 1.828 57.879 56.048 0.006 0.000 1.302 100 H CB -0.628 29.179 29.762 0.075 0.000 1.373 100 H HN 0.488 8.768 8.280 -0.000 0.000 0.497 101 D N 0.746 121.215 120.400 0.115 0.000 2.117 101 D HA -0.114 4.528 4.640 0.002 0.000 0.197 101 D C 2.314 178.701 176.300 0.146 0.000 0.987 101 D CA 0.501 54.551 54.000 0.084 0.000 0.829 101 D CB 0.029 40.919 40.800 0.150 0.000 0.961 101 D HN 0.243 8.613 8.370 -0.000 0.000 0.460 102 I N 1.181 121.836 120.570 0.142 0.000 2.127 102 I HA -0.195 3.976 4.170 0.002 0.000 0.241 102 I C 2.695 178.866 176.117 0.091 0.000 1.075 102 I CA 0.735 62.139 61.300 0.174 0.000 1.334 102 I CB -1.284 36.773 38.000 0.094 0.000 1.040 102 I HN -0.087 8.123 8.210 -0.000 0.000 0.405 103 V N 1.675 121.525 119.914 -0.107 0.000 2.392 103 V HA -0.271 3.850 4.120 0.002 0.000 0.249 103 V C 2.282 178.355 176.094 -0.034 0.000 1.059 103 V CA 1.803 63.993 62.300 -0.183 0.000 1.051 103 V CB -0.901 30.610 31.823 -0.519 0.000 0.658 103 V HN 0.413 8.603 8.190 -0.000 0.000 0.455 104 N N -0.923 117.770 118.700 -0.011 0.000 2.142 104 N HA -0.167 4.574 4.740 0.002 0.000 0.186 104 N C 1.512 177.086 175.510 0.107 0.000 1.023 104 N CA 1.464 54.514 53.050 -0.001 0.000 0.852 104 N CB -0.427 37.998 38.487 -0.103 0.000 0.998 104 N HN 0.626 9.006 8.380 -0.000 0.000 0.424 105 W N 1.503 122.889 121.300 0.144 0.000 2.363 105 W HA -0.050 4.612 4.660 0.002 0.000 0.296 105 W C 2.414 179.081 176.519 0.248 0.000 1.212 105 W CA 1.120 58.572 57.345 0.178 0.000 1.260 105 W CB -0.204 29.295 29.460 0.064 0.000 1.131 105 W HN 0.062 8.242 8.180 -0.000 0.000 0.530 106 A N 0.045 123.066 122.820 0.335 0.000 1.877 106 A HA -0.181 4.140 4.320 0.002 0.000 0.216 106 A C 1.875 179.523 177.584 0.107 0.000 1.186 106 A CA 1.342 53.481 52.037 0.171 0.000 0.620 106 A CB -1.083 17.939 19.000 0.036 0.000 0.822 106 A HN 0.274 8.424 8.150 -0.000 0.000 0.443 107 L N -0.961 120.305 121.223 0.072 0.000 2.261 107 L HA -0.183 4.158 4.340 0.002 0.000 0.216 107 L C 2.111 178.954 176.870 -0.046 0.000 1.114 107 L CA 0.891 55.721 54.840 -0.018 0.000 0.777 107 L CB -0.569 41.453 42.059 -0.062 0.000 0.910 107 L HN 0.509 8.739 8.230 -0.000 0.000 0.440 108 H N -0.450 118.667 119.070 0.079 0.000 2.547 108 H HA 0.065 4.623 4.556 0.002 0.000 0.266 108 H C 1.571 176.891 175.328 -0.012 0.000 0.988 108 H CA 0.883 56.996 56.048 0.109 0.000 1.147 108 H CB 0.628 30.566 29.762 0.292 0.000 1.365 108 H HN 0.468 8.748 8.280 -0.000 0.000 0.589 109 G N 0.186 109.004 108.800 0.031 0.000 2.163 109 G HA2 -0.227 3.734 3.960 0.002 0.000 0.213 109 G HA3 -0.227 3.734 3.960 0.002 0.000 0.213 109 G C -0.599 174.154 174.900 -0.246 0.000 0.991 109 G CA -0.399 44.598 45.100 -0.171 0.000 0.653 109 G HN 0.299 8.589 8.290 -0.000 0.000 0.518 110 Y N 0.608 120.992 120.300 0.139 0.000 2.377 110 Y HA 0.680 5.231 4.550 0.002 0.000 0.339 110 Y C 0.652 176.607 175.900 0.092 0.000 1.011 110 Y CA -0.487 57.692 58.100 0.132 0.000 1.093 110 Y CB 1.915 40.472 38.460 0.161 0.000 1.201 110 Y HN 0.410 8.690 8.280 -0.000 0.000 0.455 111 A N 2.668 125.647 122.820 0.266 0.000 2.395 111 A HA 0.512 4.833 4.320 0.002 0.000 0.286 111 A C -0.242 177.536 177.584 0.322 0.000 1.193 111 A CA -0.168 52.002 52.037 0.222 0.000 0.852 111 A CB -0.504 18.713 19.000 0.361 0.000 1.118 111 A HN 0.707 8.857 8.150 -0.000 0.000 0.524 112 T N 2.695 117.406 114.554 0.261 0.000 2.829 112 T HA 0.537 4.888 4.350 0.002 0.000 0.280 112 T C -1.022 173.972 174.700 0.491 0.000 0.999 112 T CA -0.117 62.159 62.100 0.293 0.000 0.983 112 T CB 0.846 69.832 68.868 0.197 0.000 0.968 112 T HN 0.483 8.723 8.240 -0.000 0.000 0.446 113 F N 2.318 122.414 119.950 0.243 0.000 2.477 113 F HA 0.652 5.180 4.527 0.002 0.000 0.335 113 F C 0.148 175.975 175.800 0.045 0.000 1.130 113 F CA -1.171 56.970 58.000 0.235 0.000 0.948 113 F CB 1.150 40.229 39.000 0.131 0.000 1.154 113 F HN 0.635 8.935 8.300 -0.000 0.000 0.439 114 G N 7.611 116.105 108.800 -0.509 0.000 2.571 114 G HA2 0.325 4.286 3.960 0.002 0.000 0.327 114 G HA3 0.325 4.286 3.960 0.002 0.000 0.327 114 G C -0.439 173.942 174.900 -0.866 0.000 1.008 114 G CA -0.718 44.070 45.100 -0.520 0.000 1.136 114 G HN 0.787 9.077 8.290 -0.000 0.000 0.444 115 M N 3.402 122.419 119.600 -0.972 0.000 2.246 115 M HA 0.280 4.761 4.480 0.002 0.000 0.350 115 M C -0.528 175.704 176.300 -0.112 0.000 1.406 115 M CA -0.057 54.900 55.300 -0.572 0.000 1.089 115 M CB 0.369 32.937 32.600 -0.053 0.000 1.782 115 M HN 0.204 8.494 8.290 -0.000 0.000 0.457 116 L N 6.145 127.347 121.223 -0.035 0.000 2.276 116 L HA 0.347 4.688 4.340 0.002 0.000 0.286 116 L C -0.467 176.456 176.870 0.089 0.000 1.061 116 L CA -0.997 53.918 54.840 0.124 0.000 0.807 116 L CB 1.147 43.218 42.059 0.020 0.000 1.177 116 L HN 0.444 8.674 8.230 -0.000 0.000 0.429 117 V N 4.236 124.222 119.914 0.121 0.000 2.479 117 V HA 0.083 4.204 4.120 0.002 0.000 0.281 117 V C 0.830 176.875 176.094 -0.082 0.000 1.031 117 V CA -0.552 61.715 62.300 -0.055 0.000 1.038 117 V CB 0.284 31.993 31.823 -0.190 0.000 0.981 117 V HN 0.729 8.919 8.190 -0.000 0.000 0.478 118 R N 4.372 124.809 120.500 -0.104 0.000 3.411 118 R HA -0.129 4.212 4.340 0.002 0.000 0.241 118 R C 1.526 177.785 176.300 -0.068 0.000 0.689 118 R CA 0.933 56.990 56.100 -0.070 0.000 1.022 118 R CB -0.793 29.454 30.300 -0.089 0.000 0.958 118 R HN 1.244 9.514 8.270 -0.000 0.000 0.361 119 G N 1.935 110.723 108.800 -0.019 0.000 2.257 119 G HA2 -0.388 3.573 3.960 0.002 0.000 0.267 119 G HA3 -0.388 3.573 3.960 0.002 0.000 0.267 119 G C 0.736 175.609 174.900 -0.046 0.000 0.984 119 G CA 0.866 45.997 45.100 0.051 0.000 0.626 119 G HN 0.643 8.933 8.290 -0.000 0.000 0.540 120 Q N -0.694 118.918 119.800 -0.314 0.000 1.865 120 Q HA 0.333 4.675 4.340 0.002 0.000 0.268 120 Q C 2.760 178.655 176.000 -0.175 0.000 0.961 120 Q CA 0.610 56.164 55.803 -0.415 0.000 0.870 120 Q CB -0.436 27.967 28.738 -0.558 0.000 0.929 120 Q HN 0.435 8.705 8.270 -0.000 0.000 0.450 121 G N -0.467 108.244 108.800 -0.149 0.000 2.598 121 G HA2 0.281 4.242 3.960 0.002 0.000 0.215 121 G HA3 0.281 4.242 3.960 0.002 0.000 0.215 121 G C 0.375 175.211 174.900 -0.108 0.000 1.131 121 G CA 0.716 45.680 45.100 -0.226 0.000 0.785 121 G HN 0.533 8.823 8.290 -0.000 0.000 0.539 122 G N -1.945 106.820 108.800 -0.058 0.000 2.367 122 G HA2 0.482 4.443 3.960 0.002 0.000 0.272 122 G HA3 0.482 4.443 3.960 0.002 0.000 0.272 122 G C -0.501 174.374 174.900 -0.041 0.000 1.271 122 G CA 0.202 45.269 45.100 -0.056 0.000 0.893 122 G HN 1.061 9.351 8.290 -0.000 0.000 0.485 123 S N -1.149 114.520 115.700 -0.053 0.000 3.349 123 S HA -0.096 4.375 4.470 0.002 0.000 0.854 123 S C -0.082 174.500 174.600 -0.029 0.000 1.140 123 S CA 0.924 59.090 58.200 -0.055 0.000 1.044 123 S CB -0.256 62.909 63.200 -0.059 0.000 0.716 123 S HN 1.199 9.509 8.310 -0.000 0.000 0.271 124 E N 0.836 121.019 120.200 -0.028 0.000 2.249 124 E HA 0.388 4.739 4.350 0.002 0.000 0.280 124 E C -0.970 175.638 176.600 0.013 0.000 1.016 124 E CA -0.581 55.819 56.400 -0.001 0.000 0.830 124 E CB 0.856 30.553 29.700 -0.005 0.000 1.081 124 E HN 0.470 8.830 8.360 -0.000 0.000 0.395 125 D N 2.988 123.413 120.400 0.041 0.000 2.440 125 D HA 0.097 4.739 4.640 0.002 0.000 0.239 125 D C 0.466 176.799 176.300 0.055 0.000 1.084 125 D CA -0.445 53.591 54.000 0.060 0.000 0.843 125 D CB 1.490 42.359 40.800 0.115 0.000 1.097 125 D HN 0.486 8.856 8.370 -0.000 0.000 0.531 126 T N -0.422 114.155 114.554 0.038 0.000 3.081 126 T HA 0.055 4.406 4.350 0.002 0.000 0.250 126 T C 0.908 175.622 174.700 0.023 0.000 1.100 126 T CA -0.167 61.946 62.100 0.023 0.000 1.038 126 T CB -0.279 68.592 68.868 0.004 0.000 0.962 126 T HN 0.298 8.538 8.240 -0.000 0.000 0.516 127 S N 1.818 117.546 115.700 0.046 0.000 2.525 127 S HA 0.357 4.828 4.470 0.002 0.000 0.285 127 S C 0.285 174.918 174.600 0.055 0.000 1.283 127 S CA -0.862 57.372 58.200 0.058 0.000 1.072 127 S CB 0.347 63.605 63.200 0.097 0.000 0.867 127 S HN 0.228 8.538 8.310 -0.000 0.000 0.492 128 V N 3.627 123.568 119.914 0.045 0.000 2.924 128 V HA 0.173 4.295 4.120 0.002 0.000 0.305 128 V C 0.896 177.020 176.094 0.051 0.000 1.073 128 V CA -0.213 62.113 62.300 0.043 0.000 1.098 128 V CB 1.171 33.015 31.823 0.035 0.000 1.000 128 V HN 1.026 9.216 8.190 -0.000 0.000 0.484 129 T N 6.401 120.988 114.554 0.056 0.000 2.811 129 T HA 0.257 4.608 4.350 0.002 0.000 0.309 129 T C -1.451 173.293 174.700 0.074 0.000 1.005 129 T CA -0.656 61.486 62.100 0.070 0.000 0.955 129 T CB 1.253 70.184 68.868 0.105 0.000 0.970 129 T HN 0.618 8.858 8.240 -0.000 0.000 0.496 130 P HA 0.036 4.456 4.420 -0.000 0.000 0.213 130 P C 0.888 178.235 177.300 0.079 0.000 1.170 130 P CA 0.909 64.050 63.100 0.068 0.000 0.902 130 P CB 0.201 31.941 31.700 0.067 0.000 0.789 131 G N -2.761 106.105 108.800 0.110 0.000 2.815 131 G HA2 0.526 4.487 3.960 0.002 0.000 0.305 131 G HA3 0.526 4.487 3.960 0.002 0.000 0.305 131 G C -0.616 174.378 174.900 0.156 0.000 1.277 131 G CA -0.207 44.960 45.100 0.113 0.000 0.795 131 G HN 0.251 8.541 8.290 -0.000 0.000 0.528 132 G N -1.206 107.667 108.800 0.122 0.000 2.614 132 G HA2 0.549 4.511 3.960 0.002 0.000 0.239 132 G HA3 0.549 4.511 3.960 0.002 0.000 0.239 132 G C -0.199 174.856 174.900 0.259 0.000 1.240 132 G CA 0.755 45.910 45.100 0.090 0.000 0.842 132 G HN 1.398 9.688 8.290 -0.000 0.000 0.584 133 H N -2.011 117.150 119.070 0.152 0.000 2.981 133 H HA 0.704 5.261 4.556 0.002 0.000 0.327 133 H C -0.140 175.275 175.328 0.144 0.000 1.342 133 H CA -0.542 55.642 56.048 0.226 0.000 1.123 133 H CB 0.735 30.502 29.762 0.009 0.000 1.851 133 H HN 0.753 9.033 8.280 -0.000 0.000 0.531 134 A N 1.174 124.178 122.820 0.306 0.000 2.366 134 A HA 0.346 4.667 4.320 0.002 0.000 0.249 134 A C 0.156 177.785 177.584 0.076 0.000 1.084 134 A CA -0.734 51.381 52.037 0.130 0.000 0.794 134 A CB 0.041 19.128 19.000 0.144 0.000 1.034 134 A HN 0.825 8.975 8.150 -0.000 0.000 0.491 135 L N 1.617 122.826 121.223 -0.023 0.000 2.628 135 L HA 0.362 4.704 4.340 0.002 0.000 0.274 135 L C 0.806 177.643 176.870 -0.055 0.000 1.209 135 L CA 1.485 56.280 54.840 -0.074 0.000 0.930 135 L CB -0.572 41.444 42.059 -0.070 0.000 1.183 135 L HN 1.342 9.572 8.230 -0.000 0.000 0.492 136 G N 4.280 112.973 108.800 -0.179 0.000 2.353 136 G HA2 -0.166 3.795 3.960 0.002 0.000 0.615 136 G HA3 -0.166 3.795 3.960 0.002 0.000 0.615 136 G C -0.332 174.343 174.900 -0.375 0.000 1.280 136 G CA -0.173 44.760 45.100 -0.279 0.000 1.000 136 G HN 0.642 8.932 8.290 -0.000 0.000 0.516 137 W N -0.224 121.028 121.300 -0.079 0.000 2.704 137 W HA 0.118 4.779 4.660 0.002 0.000 0.266 137 W C 2.517 178.805 176.519 -0.385 0.000 1.266 137 W CA 0.698 57.724 57.345 -0.532 0.000 1.377 137 W CB -0.376 28.448 29.460 -1.060 0.000 1.082 137 W HN 0.380 8.560 8.180 -0.000 0.000 0.608 138 M N 0.440 120.163 119.600 0.204 0.000 2.192 138 M HA -0.156 4.325 4.480 0.002 0.000 0.259 138 M C 1.647 178.012 176.300 0.107 0.000 1.071 138 M CA 2.191 57.622 55.300 0.218 0.000 1.082 138 M CB -2.115 30.593 32.600 0.181 0.000 1.373 138 M HN -0.009 8.281 8.290 -0.000 0.000 0.408 139 T N -3.742 110.766 114.554 -0.076 0.000 3.129 139 T HA 0.187 4.538 4.350 0.002 0.000 0.267 139 T C 0.453 174.957 174.700 -0.327 0.000 1.018 139 T CA -0.463 61.500 62.100 -0.229 0.000 0.903 139 T CB 0.227 68.823 68.868 -0.453 0.000 1.067 139 T HN 0.223 8.463 8.240 -0.000 0.000 0.549 140 K N 1.784 121.899 120.400 -0.474 0.000 2.402 140 K HA 0.378 4.699 4.320 0.002 0.000 0.285 140 K C 1.229 177.708 176.600 -0.201 0.000 1.054 140 K CA 0.816 56.727 56.287 -0.627 0.000 1.001 140 K CB -0.536 31.600 32.500 -0.607 0.000 0.946 140 K HN 0.443 8.693 8.250 -0.000 0.000 0.473 141 G N 4.619 113.358 108.800 -0.103 0.000 2.249 141 G HA2 -0.269 3.693 3.960 0.002 0.000 0.273 141 G HA3 -0.269 3.693 3.960 0.002 0.000 0.273 141 G C 0.464 175.420 174.900 0.093 0.000 1.036 141 G CA 0.364 45.477 45.100 0.022 0.000 0.824 141 G HN 0.812 9.102 8.290 -0.000 0.000 0.504 142 I N -0.546 120.029 120.570 0.008 0.000 2.916 142 I HA 0.081 4.252 4.170 0.002 0.000 0.267 142 I C 2.028 178.065 176.117 -0.134 0.000 1.263 142 I CA 0.618 61.842 61.300 -0.127 0.000 1.471 142 I CB 0.038 37.808 38.000 -0.383 0.000 1.089 142 I HN 0.353 8.563 8.210 -0.000 0.000 0.468 143 L N -0.265 120.940 121.223 -0.030 0.000 2.627 143 L HA 0.122 4.463 4.340 0.002 0.000 0.232 143 L C 0.481 177.353 176.870 0.003 0.000 1.150 143 L CA 0.094 54.943 54.840 0.015 0.000 0.917 143 L CB -0.317 41.787 42.059 0.076 0.000 1.104 143 L HN 0.146 8.376 8.230 -0.000 0.000 0.445 144 S N -0.437 115.255 115.700 -0.012 0.000 2.563 144 S HA 0.174 4.645 4.470 0.002 0.000 0.279 144 S C 0.655 175.236 174.600 -0.031 0.000 1.155 144 S CA -0.870 57.314 58.200 -0.026 0.000 0.928 144 S CB 1.221 64.422 63.200 0.002 0.000 1.107 144 S HN 0.358 8.668 8.310 -0.000 0.000 0.462 145 K N 2.498 122.798 120.400 -0.167 0.000 2.211 145 K HA -0.082 4.239 4.320 0.002 0.000 0.204 145 K C 0.483 177.073 176.600 -0.017 0.000 1.047 145 K CA 1.596 57.719 56.287 -0.273 0.000 0.935 145 K CB -0.198 31.537 32.500 -1.275 0.000 0.728 145 K HN 0.495 8.745 8.250 -0.000 0.000 0.452 146 D N 1.226 121.638 120.400 0.020 0.000 2.234 146 D HA -0.077 4.564 4.640 0.002 0.000 0.205 146 D C 1.710 178.113 176.300 0.172 0.000 0.962 146 D CA 1.808 55.904 54.000 0.159 0.000 0.855 146 D CB 0.248 41.111 40.800 0.105 0.000 0.951 146 D HN 0.565 8.935 8.370 -0.000 0.000 0.500 147 T N -2.726 111.905 114.554 0.129 0.000 3.040 147 T HA -0.020 4.331 4.350 0.002 0.000 0.250 147 T C 0.755 175.521 174.700 0.109 0.000 1.058 147 T CA -0.531 61.641 62.100 0.119 0.000 0.988 147 T CB -0.326 68.592 68.868 0.083 0.000 0.993 147 T HN -0.105 8.135 8.240 -0.000 0.000 0.519 148 Y N 2.392 122.656 120.300 -0.060 0.000 2.712 148 Y HA 0.155 4.706 4.550 0.002 0.000 0.333 148 Y C 1.394 177.159 175.900 -0.225 0.000 1.225 148 Y CA -1.812 56.167 58.100 -0.200 0.000 1.499 148 Y CB 0.163 38.380 38.460 -0.406 0.000 1.288 148 Y HN 0.211 8.491 8.280 -0.000 0.000 0.575 149 Y N 5.060 124.767 120.300 -0.989 0.000 2.062 149 Y HA -0.382 4.169 4.550 0.002 0.000 0.276 149 Y C 1.368 176.743 175.900 -0.876 0.000 1.189 149 Y CA 2.366 59.945 58.100 -0.869 0.000 1.130 149 Y CB -0.751 37.154 38.460 -0.924 0.000 0.959 149 Y HN 0.744 9.024 8.280 -0.000 0.000 0.499 150 Y N 0.305 119.898 120.300 -1.179 0.000 2.632 150 Y HA -0.034 4.517 4.550 0.002 0.000 0.301 150 Y C 2.563 178.105 175.900 -0.596 0.000 1.172 150 Y CA 1.010 58.591 58.100 -0.865 0.000 1.328 150 Y CB -0.489 37.543 38.460 -0.714 0.000 1.016 150 Y HN 0.154 8.434 8.280 -0.000 0.000 0.529 151 R N -0.107 120.194 120.500 -0.333 0.000 2.062 151 R HA -0.096 4.246 4.340 0.002 0.000 0.229 151 R C 2.498 178.718 176.300 -0.134 0.000 1.128 151 R CA 1.365 57.520 56.100 0.092 0.000 0.960 151 R CB -0.686 29.665 30.300 0.084 0.000 0.855 151 R HN 0.413 8.683 8.270 -0.000 0.000 0.432 152 G N 0.148 108.812 108.800 -0.227 0.000 2.418 152 G HA2 -0.193 3.769 3.960 0.002 0.000 0.217 152 G HA3 -0.193 3.769 3.960 0.002 0.000 0.217 152 G C 1.430 176.302 174.900 -0.047 0.000 1.158 152 G CA 0.856 45.896 45.100 -0.100 0.000 0.771 152 G HN 0.216 8.506 8.290 -0.000 0.000 0.545 153 V N 0.117 119.932 119.914 -0.165 0.000 2.287 153 V HA -0.229 3.893 4.120 0.002 0.000 0.248 153 V C 2.475 178.677 176.094 0.179 0.000 1.053 153 V CA 1.584 63.846 62.300 -0.064 0.000 1.027 153 V CB -0.763 30.946 31.823 -0.191 0.000 0.646 153 V HN 0.364 8.554 8.190 -0.000 0.000 0.447 154 Y N 0.020 120.345 120.300 0.040 0.000 2.165 154 Y HA -0.166 4.385 4.550 0.002 0.000 0.286 154 Y C 2.314 178.223 175.900 0.015 0.000 1.155 154 Y CA 1.002 59.128 58.100 0.043 0.000 1.164 154 Y CB -0.833 37.749 38.460 0.204 0.000 0.978 154 Y HN 0.167 8.447 8.280 -0.000 0.000 0.513 155 L N -0.560 120.791 121.223 0.214 0.000 2.093 155 L HA -0.201 4.140 4.340 0.002 0.000 0.208 155 L C 1.931 178.886 176.870 0.141 0.000 1.085 155 L CA 1.214 56.127 54.840 0.121 0.000 0.755 155 L CB -0.484 41.581 42.059 0.011 0.000 0.904 155 L HN 0.129 8.359 8.230 -0.000 0.000 0.435 156 D N 0.405 120.906 120.400 0.168 0.000 2.144 156 D HA -0.150 4.491 4.640 0.002 0.000 0.199 156 D C 2.233 178.704 176.300 0.285 0.000 0.984 156 D CA 1.443 55.596 54.000 0.255 0.000 0.834 156 D CB 0.011 40.933 40.800 0.204 0.000 0.955 156 D HN 0.318 8.688 8.370 -0.000 0.000 0.465 157 A N 0.775 123.704 122.820 0.182 0.000 1.902 157 A HA -0.120 4.201 4.320 0.002 0.000 0.217 157 A C 2.553 180.231 177.584 0.157 0.000 1.181 157 A CA 1.095 53.255 52.037 0.205 0.000 0.623 157 A CB -0.719 18.179 19.000 -0.170 0.000 0.818 157 A HN 0.137 8.287 8.150 -0.000 0.000 0.443 158 V N 0.164 120.114 119.914 0.059 0.000 2.295 158 V HA -0.232 3.889 4.120 0.002 0.000 0.246 158 V C 2.680 178.756 176.094 -0.030 0.000 1.049 158 V CA 2.340 64.644 62.300 0.006 0.000 1.024 158 V CB -0.795 31.023 31.823 -0.009 0.000 0.648 158 V HN 0.637 8.826 8.190 -0.000 0.000 0.447 159 R N 1.141 121.631 120.500 -0.017 0.000 2.152 159 R HA -0.067 4.274 4.340 0.002 0.000 0.232 159 R C 2.049 178.098 176.300 -0.419 0.000 1.117 159 R CA 1.751 57.760 56.100 -0.153 0.000 0.981 159 R CB -0.932 29.357 30.300 -0.020 0.000 0.870 159 R HN 0.459 8.729 8.270 -0.000 0.000 0.451 160 A N 0.198 122.888 122.820 -0.218 0.000 1.930 160 A HA -0.056 4.265 4.320 0.002 0.000 0.217 160 A C 2.197 179.618 177.584 -0.272 0.000 1.175 160 A CA 1.324 53.213 52.037 -0.247 0.000 0.627 160 A CB -0.458 18.739 19.000 0.329 0.000 0.815 160 A HN 0.356 8.506 8.150 -0.000 0.000 0.443 161 L N -0.683 120.451 121.223 -0.147 0.000 2.072 161 L HA -0.166 4.175 4.340 0.002 0.000 0.205 161 L C 2.551 179.270 176.870 -0.251 0.000 1.079 161 L CA 1.468 56.213 54.840 -0.159 0.000 0.752 161 L CB -0.537 41.478 42.059 -0.072 0.000 0.906 161 L HN 0.461 8.691 8.230 -0.000 0.000 0.436 162 E N -0.460 119.587 120.200 -0.255 0.000 2.110 162 E HA -0.182 4.170 4.350 0.002 0.000 0.193 162 E C 2.245 178.624 176.600 -0.368 0.000 0.988 162 E CA 1.198 57.442 56.400 -0.259 0.000 0.804 162 E CB -0.094 29.481 29.700 -0.208 0.000 0.745 162 E HN 0.279 8.639 8.360 -0.000 0.000 0.458 163 V N 1.548 121.149 119.914 -0.521 0.000 2.323 163 V HA -0.210 3.911 4.120 0.002 0.000 0.244 163 V C 2.230 177.708 176.094 -1.026 0.000 1.041 163 V CA 1.100 62.997 62.300 -0.672 0.000 1.025 163 V CB -0.270 31.066 31.823 -0.812 0.000 0.656 163 V HN 0.264 8.454 8.190 -0.000 0.000 0.451 164 I N 0.419 120.403 120.570 -0.977 0.000 2.226 164 I HA -0.274 3.897 4.170 0.002 0.000 0.245 164 I C 2.594 178.287 176.117 -0.708 0.000 1.100 164 I CA 1.894 62.545 61.300 -1.082 0.000 1.374 164 I CB -1.245 36.429 38.000 -0.543 0.000 1.057 164 I HN 0.517 8.727 8.210 -0.000 0.000 0.413 165 Q N 1.037 120.572 119.800 -0.440 0.000 2.291 165 Q HA -0.174 4.168 4.340 0.002 0.000 0.206 165 Q C 1.852 177.716 176.000 -0.226 0.000 0.976 165 Q CA 1.908 57.550 55.803 -0.268 0.000 0.875 165 Q CB -0.016 28.596 28.738 -0.210 0.000 0.927 165 Q HN 0.539 8.809 8.270 -0.000 0.000 0.450 166 S N -0.700 114.827 115.700 -0.288 0.000 2.575 166 S HA 0.160 4.631 4.470 0.002 0.000 0.215 166 S C -0.070 174.575 174.600 0.075 0.000 0.966 166 S CA -0.735 57.391 58.200 -0.123 0.000 0.911 166 S CB 0.009 63.138 63.200 -0.117 0.000 0.780 166 S HN 0.172 8.482 8.310 -0.000 0.000 0.514 167 F N 3.392 123.275 119.950 -0.112 0.000 2.412 167 F HA 0.399 4.927 4.527 0.002 0.000 0.348 167 F C -1.042 174.732 175.800 -0.043 0.000 1.102 167 F CA -3.042 54.910 58.000 -0.080 0.000 1.196 167 F CB 0.511 39.469 39.000 -0.070 0.000 1.144 167 F HN 0.018 8.318 8.300 -0.000 0.000 0.541 168 P HA -0.173 4.247 4.420 -0.000 0.000 0.217 168 P C 0.960 178.297 177.300 0.062 0.000 1.151 168 P CA 1.494 64.633 63.100 0.065 0.000 0.828 168 P CB 0.063 31.777 31.700 0.023 0.000 0.788 169 E N 0.445 120.706 120.200 0.101 0.000 2.478 169 E HA -0.003 4.349 4.350 0.002 0.000 0.198 169 E C 0.355 177.038 176.600 0.138 0.000 1.046 169 E CA 0.303 56.761 56.400 0.096 0.000 0.870 169 E CB -0.721 29.090 29.700 0.184 0.000 0.818 169 E HN 0.094 8.454 8.360 -0.000 0.000 0.527 170 V N 2.535 122.555 119.914 0.177 0.000 2.427 170 V HA 0.098 4.220 4.120 0.002 0.000 0.286 170 V C -0.204 175.919 176.094 0.048 0.000 1.034 170 V CA -0.815 61.578 62.300 0.156 0.000 0.893 170 V CB 1.565 33.489 31.823 0.169 0.000 0.982 170 V HN 0.046 8.236 8.190 -0.000 0.000 0.452 171 D N 4.279 124.703 120.400 0.040 0.000 2.393 171 D HA 0.069 4.710 4.640 0.002 0.000 0.232 171 D C 1.430 177.690 176.300 -0.067 0.000 1.192 171 D CA -0.367 53.628 54.000 -0.009 0.000 0.882 171 D CB 1.079 41.901 40.800 0.038 0.000 1.038 171 D HN 0.722 9.092 8.370 -0.000 0.000 0.499 172 E N 3.520 123.601 120.200 -0.199 0.000 2.333 172 E HA -0.248 4.103 4.350 0.002 0.000 0.200 172 E C 0.210 176.640 176.600 -0.284 0.000 1.010 172 E CA 1.152 57.386 56.400 -0.276 0.000 0.841 172 E CB -0.332 29.149 29.700 -0.366 0.000 0.757 172 E HN 0.610 8.970 8.360 -0.000 0.000 0.508 173 H N 0.625 119.698 119.070 0.005 0.000 2.529 173 H HA 0.328 4.886 4.556 0.002 0.000 0.277 173 H C 0.224 175.562 175.328 0.017 0.000 1.004 173 H CA 0.079 56.130 56.048 0.005 0.000 1.167 173 H CB 0.388 30.153 29.762 0.004 0.000 1.445 173 H HN 0.119 8.399 8.280 -0.000 0.000 0.554 174 R N 0.797 121.355 120.500 0.096 0.000 2.638 174 R HA 0.362 4.703 4.340 0.002 0.000 0.261 174 R C -0.848 175.502 176.300 0.085 0.000 1.515 174 R CA -0.089 56.070 56.100 0.099 0.000 1.623 174 R CB 0.887 31.257 30.300 0.117 0.000 1.347 174 R HN 0.022 8.293 8.270 -0.000 0.000 0.705 175 I N 0.344 120.941 120.570 0.045 0.000 2.433 175 I HA 0.526 4.697 4.170 0.002 0.000 0.292 175 I C 0.517 176.631 176.117 -0.004 0.000 1.001 175 I CA -0.846 60.466 61.300 0.019 0.000 1.119 175 I CB 2.190 40.180 38.000 -0.017 0.000 1.289 175 I HN 0.281 8.491 8.210 -0.000 0.000 0.438 176 G N 4.457 113.233 108.800 -0.040 0.000 2.498 176 G HA2 0.695 4.656 3.960 0.002 0.000 0.312 176 G HA3 0.695 4.656 3.960 0.002 0.000 0.312 176 G C -1.049 173.782 174.900 -0.115 0.000 1.230 176 G CA -0.559 44.499 45.100 -0.071 0.000 0.968 176 G HN 0.478 8.768 8.290 -0.000 0.000 0.481 177 V N -0.486 119.384 119.914 -0.074 0.000 2.444 177 V HA 0.825 4.946 4.120 0.002 0.000 0.294 177 V C -0.068 175.987 176.094 -0.066 0.000 1.022 177 V CA -0.948 61.318 62.300 -0.056 0.000 0.850 177 V CB 0.632 32.521 31.823 0.111 0.000 0.992 177 V HN 0.913 9.103 8.190 -0.000 0.000 0.426 178 I N 1.480 121.958 120.570 -0.152 0.000 2.934 178 I HA 1.132 5.304 4.170 0.002 0.000 0.306 178 I C 0.076 176.181 176.117 -0.020 0.000 1.110 178 I CA -0.830 60.395 61.300 -0.123 0.000 1.019 178 I CB 2.449 40.274 38.000 -0.293 0.000 1.227 178 I HN 1.062 9.272 8.210 -0.000 0.000 0.434 179 G N 1.243 110.061 108.800 0.029 0.000 2.355 179 G HA2 0.525 4.486 3.960 0.002 0.000 0.296 179 G HA3 0.525 4.486 3.960 0.002 0.000 0.296 179 G C -1.505 173.413 174.900 0.031 0.000 1.507 179 G CA -0.259 44.895 45.100 0.089 0.000 0.823 179 G HN 1.046 9.336 8.290 -0.000 0.000 0.569 180 G N -0.745 108.083 108.800 0.045 0.000 2.452 180 G HA2 0.884 4.845 3.960 0.002 0.000 0.324 180 G HA3 0.884 4.845 3.960 0.002 0.000 0.324 180 G C 0.738 175.694 174.900 0.094 0.000 1.214 180 G CA 1.365 46.416 45.100 -0.081 0.000 0.947 180 G HN 2.394 10.684 8.290 -0.000 0.000 0.478 181 A N 1.033 123.939 122.820 0.142 0.000 5.150 181 A HA -0.380 3.941 4.320 0.002 0.000 0.324 181 A C 2.067 179.817 177.584 0.277 0.000 1.862 181 A CA 2.357 54.620 52.037 0.377 0.000 0.710 181 A CB -1.678 17.625 19.000 0.506 0.000 1.367 181 A HN 1.185 9.335 8.150 -0.000 0.000 0.380 182 Q N -0.098 119.860 119.800 0.264 0.000 2.096 182 Q HA -0.039 4.302 4.340 0.002 0.000 0.204 182 Q C 2.084 178.180 176.000 0.160 0.000 0.982 182 Q CA 2.600 58.579 55.803 0.294 0.000 0.850 182 Q CB -0.735 28.220 28.738 0.362 0.000 0.901 182 Q HN 1.173 9.443 8.270 -0.000 0.000 0.422 183 G N -0.226 108.669 108.800 0.159 0.000 2.422 183 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 183 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 183 G C 1.293 176.260 174.900 0.111 0.000 1.146 183 G CA 0.670 45.865 45.100 0.160 0.000 0.769 183 G HN 0.528 8.818 8.290 -0.000 0.000 0.547 184 G N 0.877 109.718 108.800 0.068 0.000 2.403 184 G HA2 0.121 4.083 3.960 0.002 0.000 0.216 184 G HA3 0.121 4.083 3.960 0.002 0.000 0.216 184 G C 1.992 176.880 174.900 -0.020 0.000 1.154 184 G CA 1.351 46.459 45.100 0.015 0.000 0.784 184 G HN 0.593 8.883 8.290 -0.000 0.000 0.538 185 A N 0.594 123.407 122.820 -0.011 0.000 1.930 185 A HA 0.156 4.477 4.320 0.002 0.000 0.217 185 A C 2.381 179.810 177.584 -0.259 0.000 1.175 185 A CA 0.991 52.982 52.037 -0.077 0.000 0.627 185 A CB -0.312 18.683 19.000 -0.009 0.000 0.815 185 A HN 0.341 8.491 8.150 -0.000 0.000 0.443 186 L N -0.968 120.052 121.223 -0.339 0.000 2.109 186 L HA -0.138 4.203 4.340 0.002 0.000 0.207 186 L C 3.086 179.568 176.870 -0.646 0.000 1.086 186 L CA 0.938 55.353 54.840 -0.708 0.000 0.760 186 L CB -0.699 40.718 42.059 -1.071 0.000 0.910 186 L HN 0.448 8.678 8.230 -0.000 0.000 0.437 187 A N 0.685 123.348 122.820 -0.261 0.000 1.877 187 A HA -0.190 4.131 4.320 0.002 0.000 0.216 187 A C 2.200 179.737 177.584 -0.079 0.000 1.186 187 A CA 1.565 53.614 52.037 0.020 0.000 0.620 187 A CB -0.595 18.474 19.000 0.115 0.000 0.822 187 A HN 0.331 8.481 8.150 -0.000 0.000 0.443 188 I N -0.460 120.038 120.570 -0.121 0.000 2.252 188 I HA -0.231 3.940 4.170 0.002 0.000 0.245 188 I C 2.958 178.970 176.117 -0.176 0.000 1.102 188 I CA 0.925 62.159 61.300 -0.110 0.000 1.385 188 I CB -0.324 37.626 38.000 -0.084 0.000 1.064 188 I HN 0.363 8.573 8.210 -0.000 0.000 0.414 189 A N 0.806 123.430 122.820 -0.327 0.000 1.902 189 A HA -0.165 4.157 4.320 0.002 0.000 0.217 189 A C 2.535 179.899 177.584 -0.368 0.000 1.181 189 A CA 1.852 53.606 52.037 -0.471 0.000 0.623 189 A CB -0.761 17.593 19.000 -1.076 0.000 0.818 189 A HN 0.428 8.578 8.150 -0.000 0.000 0.443 190 A N -0.173 122.454 122.820 -0.322 0.000 1.898 190 A HA 0.187 4.508 4.320 0.002 0.000 0.216 190 A C 2.479 180.006 177.584 -0.094 0.000 1.181 190 A CA 1.975 53.905 52.037 -0.179 0.000 0.620 190 A CB -0.968 17.989 19.000 -0.071 0.000 0.819 190 A HN 1.070 9.220 8.150 -0.000 0.000 0.442 191 A N -0.414 122.365 122.820 -0.068 0.000 2.015 191 A HA 0.231 4.552 4.320 0.002 0.000 0.219 191 A C 2.364 179.940 177.584 -0.013 0.000 1.163 191 A CA 1.831 53.851 52.037 -0.029 0.000 0.646 191 A CB -0.696 18.297 19.000 -0.013 0.000 0.806 191 A HN 0.976 9.126 8.150 -0.000 0.000 0.448 192 A N -0.703 122.107 122.820 -0.015 0.000 1.970 192 A HA 0.237 4.558 4.320 0.002 0.000 0.216 192 A C 1.864 179.504 177.584 0.093 0.000 1.170 192 A CA 1.040 53.135 52.037 0.095 0.000 0.645 192 A CB -0.283 18.777 19.000 0.101 0.000 0.816 192 A HN 0.436 8.586 8.150 -0.000 0.000 0.447 193 L N -1.021 120.176 121.223 -0.043 0.000 2.585 193 L HA 0.202 4.544 4.340 0.002 0.000 0.226 193 L C 0.783 177.598 176.870 -0.092 0.000 1.113 193 L CA 0.194 54.978 54.840 -0.093 0.000 0.876 193 L CB 0.352 42.302 42.059 -0.182 0.000 1.072 193 L HN 0.304 8.534 8.230 -0.000 0.000 0.468 194 S N -0.480 115.177 115.700 -0.072 0.000 2.549 194 S HA 0.262 4.733 4.470 0.002 0.000 0.280 194 S C -0.164 174.406 174.600 -0.051 0.000 1.109 194 S CA -0.700 57.462 58.200 -0.064 0.000 0.905 194 S CB 1.492 64.659 63.200 -0.056 0.000 1.081 194 S HN 0.283 8.593 8.310 -0.000 0.000 0.477 195 D N 3.615 123.983 120.400 -0.052 0.000 2.350 195 D HA 0.088 4.730 4.640 0.002 0.000 0.213 195 D C 1.572 177.855 176.300 -0.028 0.000 1.031 195 D CA 0.092 54.069 54.000 -0.038 0.000 0.861 195 D CB -0.211 40.563 40.800 -0.042 0.000 0.926 195 D HN 0.546 8.916 8.370 -0.000 0.000 0.520 196 I N 1.151 121.699 120.570 -0.038 0.000 2.113 196 I HA -0.074 4.097 4.170 0.002 0.000 0.238 196 I C -1.071 175.031 176.117 -0.025 0.000 1.070 196 I CA 0.499 61.775 61.300 -0.040 0.000 1.332 196 I CB -1.649 36.312 38.000 -0.065 0.000 1.044 196 I HN 0.008 8.218 8.210 -0.000 0.000 0.402 197 P HA -0.092 4.328 4.420 -0.000 0.000 0.266 197 P C 0.047 177.346 177.300 -0.002 0.000 1.195 197 P CA 0.678 63.773 63.100 -0.009 0.000 0.768 197 P CB 0.932 32.632 31.700 -0.001 0.000 0.838 198 K N 2.007 122.408 120.400 0.002 0.000 2.202 198 K HA 0.075 4.396 4.320 0.002 0.000 0.201 198 K C 0.631 177.214 176.600 -0.028 0.000 1.051 198 K CA 0.684 56.969 56.287 -0.003 0.000 0.977 198 K CB 0.314 32.822 32.500 0.014 0.000 0.792 198 K HN 0.467 8.717 8.250 -0.000 0.000 0.469 199 V N -1.514 118.392 119.914 -0.014 0.000 3.102 199 V HA 0.649 4.770 4.120 0.002 0.000 0.312 199 V C -0.873 175.274 176.094 0.089 0.000 1.135 199 V CA -1.011 61.303 62.300 0.023 0.000 1.022 199 V CB 2.050 33.856 31.823 -0.029 0.000 1.056 199 V HN -0.222 7.968 8.190 -0.000 0.000 0.436 200 V N 1.491 121.495 119.914 0.151 0.000 2.638 200 V HA 0.695 4.816 4.120 0.002 0.000 0.306 200 V C -0.709 175.395 176.094 0.016 0.000 1.052 200 V CA -0.465 61.877 62.300 0.070 0.000 0.885 200 V CB 1.959 33.799 31.823 0.029 0.000 0.999 200 V HN 0.841 9.031 8.190 -0.000 0.000 0.424 201 V N 3.239 123.139 119.914 -0.023 0.000 2.483 201 V HA 0.868 4.989 4.120 0.002 0.000 0.297 201 V C -0.017 176.060 176.094 -0.029 0.000 1.027 201 V CA -0.437 61.813 62.300 -0.082 0.000 0.855 201 V CB 1.728 33.496 31.823 -0.092 0.000 0.995 201 V HN 1.035 9.225 8.190 -0.000 0.000 0.424 202 A N 3.270 126.074 122.820 -0.026 0.000 2.375 202 A HA 0.749 5.070 4.320 0.002 0.000 0.291 202 A C -0.996 176.495 177.584 -0.156 0.000 1.160 202 A CA -0.665 51.337 52.037 -0.057 0.000 0.747 202 A CB 0.757 19.727 19.000 -0.051 0.000 1.170 202 A HN 0.772 8.922 8.150 -0.000 0.000 0.458 203 D N 2.328 122.560 120.400 -0.279 0.000 2.312 203 D HA 0.383 5.024 4.640 0.002 0.000 0.252 203 D C -0.034 175.727 176.300 -0.898 0.000 1.150 203 D CA 0.425 53.971 54.000 -0.756 0.000 0.870 203 D CB 0.022 40.226 40.800 -0.993 0.000 1.153 203 D HN 0.573 8.943 8.370 -0.000 0.000 0.457 204 Y N -0.154 120.070 120.300 -0.127 0.000 3.015 204 Y HA -0.205 4.346 4.550 0.002 0.000 0.216 204 Y C -2.083 173.866 175.900 0.082 0.000 1.134 204 Y CA -1.286 56.801 58.100 -0.022 0.000 0.783 204 Y CB -2.168 36.306 38.460 0.024 0.000 1.133 204 Y HN 0.283 8.563 8.280 -0.000 0.000 0.422 205 P HA -0.091 4.329 4.420 -0.000 0.000 0.264 205 P C 0.113 177.569 177.300 0.259 0.000 1.183 205 P CA 0.458 63.645 63.100 0.146 0.000 0.763 205 P CB 0.895 32.628 31.700 0.055 0.000 0.807 206 Y N 4.751 125.103 120.300 0.087 0.000 2.378 206 Y HA 0.246 4.797 4.550 0.002 0.000 0.351 206 Y C 1.282 177.175 175.900 -0.012 0.000 1.351 206 Y CA -0.959 57.154 58.100 0.021 0.000 1.616 206 Y CB 0.036 38.467 38.460 -0.048 0.000 1.622 206 Y HN 0.284 8.564 8.280 -0.000 0.000 0.568 207 L N 1.779 122.593 121.223 -0.682 0.000 3.739 207 L HA -0.249 4.092 4.340 0.002 0.000 0.442 207 L C -0.363 176.168 176.870 -0.564 0.000 1.241 207 L CA 0.978 55.453 54.840 -0.608 0.000 0.819 207 L CB -2.037 39.894 42.059 -0.213 0.000 1.679 207 L HN 0.443 8.673 8.230 -0.000 0.000 0.889 208 S N 0.492 115.902 115.700 -0.484 0.000 2.557 208 S HA 0.609 5.080 4.470 0.002 0.000 0.291 208 S C 0.369 174.766 174.600 -0.339 0.000 1.116 208 S CA -0.160 57.848 58.200 -0.321 0.000 0.992 208 S CB 1.566 64.727 63.200 -0.065 0.000 1.028 208 S HN 0.516 8.826 8.310 -0.000 0.000 0.484 209 N N 3.143 121.693 118.700 -0.249 0.000 2.696 209 N HA -0.165 4.576 4.740 0.002 0.000 0.256 209 N C 0.047 175.481 175.510 -0.126 0.000 1.031 209 N CA 0.739 53.725 53.050 -0.107 0.000 0.730 209 N CB -1.826 36.666 38.487 0.007 0.000 0.894 209 N HN 0.590 8.970 8.380 -0.000 0.000 0.544 210 F N 0.525 120.504 119.950 0.048 0.000 2.087 210 F HA -0.204 4.324 4.527 0.002 0.000 0.299 210 F C 2.138 178.036 175.800 0.163 0.000 1.100 210 F CA 2.040 60.102 58.000 0.104 0.000 1.226 210 F CB -0.260 38.899 39.000 0.266 0.000 0.983 210 F HN 0.424 8.724 8.300 -0.000 0.000 0.479 211 E N -0.633 119.715 120.200 0.247 0.000 2.204 211 E HA -0.219 4.132 4.350 0.002 0.000 0.195 211 E C 2.238 178.819 176.600 -0.031 0.000 0.990 211 E CA 0.909 57.254 56.400 -0.091 0.000 0.821 211 E CB -0.184 29.309 29.700 -0.345 0.000 0.750 211 E HN 0.384 8.744 8.360 -0.000 0.000 0.477 212 R N 0.358 120.858 120.500 -0.000 0.000 2.156 212 R HA 0.085 4.426 4.340 0.002 0.000 0.207 212 R C 2.241 178.506 176.300 -0.058 0.000 1.040 212 R CA 0.827 56.919 56.100 -0.013 0.000 1.013 212 R CB -0.005 30.317 30.300 0.036 0.000 0.931 212 R HN 0.103 8.373 8.270 -0.000 0.000 0.465 213 A N 1.124 123.852 122.820 -0.153 0.000 1.892 213 A HA -0.173 4.148 4.320 0.002 0.000 0.218 213 A C 2.146 179.618 177.584 -0.186 0.000 1.188 213 A CA 1.990 53.791 52.037 -0.392 0.000 0.631 213 A CB -0.938 17.410 19.000 -1.085 0.000 0.822 213 A HN 0.328 8.478 8.150 -0.000 0.000 0.447 214 V N -2.577 117.345 119.914 0.014 0.000 2.913 214 V HA -0.124 3.997 4.120 0.002 0.000 0.260 214 V C 1.113 177.278 176.094 0.119 0.000 1.098 214 V CA 2.360 64.748 62.300 0.147 0.000 1.121 214 V CB -0.634 31.391 31.823 0.337 0.000 0.714 214 V HN 0.407 8.597 8.190 -0.000 0.000 0.487 215 D N -0.344 120.096 120.400 0.067 0.000 2.360 215 D HA 0.206 4.848 4.640 0.002 0.000 0.210 215 D C 1.769 178.080 176.300 0.018 0.000 1.047 215 D CA 0.751 54.779 54.000 0.046 0.000 0.854 215 D CB 1.310 42.123 40.800 0.023 0.000 0.936 215 D HN 0.510 8.880 8.370 -0.000 0.000 0.514 216 V N 0.255 120.170 119.914 0.001 0.000 3.359 216 V HA 0.275 4.396 4.120 0.002 0.000 0.245 216 V C 0.982 177.090 176.094 0.023 0.000 1.247 216 V CA 0.078 62.374 62.300 -0.005 0.000 1.145 216 V CB 0.356 32.157 31.823 -0.036 0.000 0.906 216 V HN 0.083 8.273 8.190 -0.000 0.000 0.464 217 A N 0.326 123.171 122.820 0.042 0.000 2.498 217 A HA 0.358 4.680 4.320 0.002 0.000 0.239 217 A C 0.727 178.365 177.584 0.090 0.000 1.068 217 A CA 0.422 52.521 52.037 0.104 0.000 0.766 217 A CB 0.123 19.248 19.000 0.208 0.000 1.003 217 A HN 0.436 8.586 8.150 -0.000 0.000 0.497 218 L N 0.558 121.829 121.223 0.080 0.000 2.664 218 L HA 0.255 4.596 4.340 0.002 0.000 0.233 218 L C 0.635 177.542 176.870 0.062 0.000 1.113 218 L CA 0.441 55.318 54.840 0.062 0.000 0.896 218 L CB -0.017 42.069 42.059 0.045 0.000 1.163 218 L HN 0.809 9.039 8.230 -0.000 0.000 0.497 219 E N -1.164 119.078 120.200 0.071 0.000 2.456 219 E HA 0.308 4.659 4.350 0.002 0.000 0.276 219 E C -0.890 175.750 176.600 0.066 0.000 0.981 219 E CA -0.928 55.505 56.400 0.056 0.000 0.814 219 E CB 1.385 31.102 29.700 0.028 0.000 1.382 219 E HN -0.113 8.247 8.360 -0.000 0.000 0.459 220 Q N 1.363 121.193 119.800 0.049 0.000 2.524 220 Q HA 0.098 4.439 4.340 0.002 0.000 0.246 220 Q C -1.696 174.274 176.000 -0.049 0.000 1.063 220 Q CA -0.934 54.895 55.803 0.043 0.000 0.945 220 Q CB 0.175 28.952 28.738 0.066 0.000 1.292 220 Q HN 0.368 8.638 8.270 -0.000 0.000 0.518 221 P HA 0.052 4.472 4.420 -0.000 0.000 0.275 221 P C 0.459 177.814 177.300 0.092 0.000 1.310 221 P CA 0.243 63.299 63.100 -0.074 0.000 0.904 221 P CB 0.253 31.715 31.700 -0.397 0.000 1.381 222 Y N 1.222 121.639 120.300 0.194 0.000 2.207 222 Y HA -0.133 4.418 4.550 0.002 0.000 0.287 222 Y C 2.320 178.298 175.900 0.130 0.000 1.156 222 Y CA 1.182 59.418 58.100 0.227 0.000 1.182 222 Y CB -1.319 37.280 38.460 0.232 0.000 0.979 222 Y HN -0.128 8.152 8.280 -0.000 0.000 0.521 223 L N -0.247 121.133 121.223 0.261 0.000 2.549 223 L HA -0.201 4.141 4.340 0.002 0.000 0.230 223 L C 1.996 178.927 176.870 0.102 0.000 1.162 223 L CA 0.977 55.913 54.840 0.160 0.000 0.834 223 L CB -0.501 41.634 42.059 0.127 0.000 0.947 223 L HN 0.316 8.546 8.230 -0.000 0.000 0.452 224 E N 0.529 120.789 120.200 0.100 0.000 2.153 224 E HA -0.208 4.143 4.350 0.002 0.000 0.194 224 E C 2.246 178.841 176.600 -0.009 0.000 0.988 224 E CA 1.060 57.497 56.400 0.061 0.000 0.811 224 E CB -0.019 29.728 29.700 0.078 0.000 0.746 224 E HN 0.565 8.925 8.360 -0.000 0.000 0.466 225 I N 1.381 121.916 120.570 -0.059 0.000 2.252 225 I HA -0.264 3.907 4.170 0.002 0.000 0.245 225 I C 1.686 177.527 176.117 -0.460 0.000 1.102 225 I CA 0.977 62.080 61.300 -0.327 0.000 1.385 225 I CB -0.348 37.469 38.000 -0.304 0.000 1.064 225 I HN 0.063 8.273 8.210 -0.000 0.000 0.414 226 N N 0.760 119.384 118.700 -0.126 0.000 2.120 226 N HA -0.148 4.594 4.740 0.002 0.000 0.188 226 N C 1.905 177.428 175.510 0.023 0.000 1.024 226 N CA 1.594 54.658 53.050 0.025 0.000 0.852 226 N CB -0.359 38.197 38.487 0.115 0.000 1.003 226 N HN 0.196 8.576 8.380 -0.000 0.000 0.424 227 S N -0.301 115.406 115.700 0.012 0.000 2.402 227 S HA -0.131 4.340 4.470 0.002 0.000 0.229 227 S C 1.646 176.257 174.600 0.018 0.000 1.021 227 S CA 0.582 58.799 58.200 0.029 0.000 0.974 227 S CB -0.445 62.777 63.200 0.037 0.000 0.800 227 S HN 0.425 8.735 8.310 -0.000 0.000 0.484 228 Y N 1.857 122.060 120.300 -0.161 0.000 2.145 228 Y HA -0.140 4.411 4.550 0.002 0.000 0.286 228 Y C 1.715 177.592 175.900 -0.039 0.000 1.145 228 Y CA 1.230 59.230 58.100 -0.166 0.000 1.148 228 Y CB -0.542 37.718 38.460 -0.333 0.000 0.981 228 Y HN 0.169 8.449 8.280 -0.000 0.000 0.507 229 F N 0.267 120.203 119.950 -0.024 0.000 2.234 229 F HA -0.090 4.438 4.527 0.002 0.000 0.299 229 F C 2.395 178.135 175.800 -0.101 0.000 1.087 229 F CA 1.204 59.148 58.000 -0.094 0.000 1.340 229 F CB -1.009 38.010 39.000 0.033 0.000 1.031 229 F HN 0.001 8.301 8.300 -0.000 0.000 0.500 230 R N 0.039 120.604 120.500 0.109 0.000 2.075 230 R HA -0.092 4.249 4.340 0.002 0.000 0.232 230 R C 2.219 178.511 176.300 -0.013 0.000 1.126 230 R CA 1.250 57.380 56.100 0.051 0.000 0.963 230 R CB -0.286 30.041 30.300 0.044 0.000 0.858 230 R HN 0.215 8.485 8.270 -0.000 0.000 0.435 231 R N -0.006 120.453 120.500 -0.068 0.000 2.193 231 R HA 0.015 4.357 4.340 0.002 0.000 0.213 231 R C -0.153 176.063 176.300 -0.140 0.000 1.055 231 R CA 0.723 56.763 56.100 -0.100 0.000 0.995 231 R CB 0.075 30.311 30.300 -0.107 0.000 0.893 231 R HN 0.178 8.448 8.270 -0.000 0.000 0.459 232 N N -0.518 118.061 118.700 -0.203 0.000 2.682 232 N HA 0.029 4.770 4.740 0.002 0.000 0.252 232 N C -0.091 175.365 175.510 -0.090 0.000 1.081 232 N CA -0.215 52.725 53.050 -0.184 0.000 0.844 232 N CB 1.864 40.145 38.487 -0.343 0.000 1.167 232 N HN -0.045 8.335 8.380 -0.000 0.000 0.523 233 S N -0.592 115.079 115.700 -0.050 0.000 2.481 233 S HA -0.119 4.353 4.470 0.002 0.000 0.231 233 S C 0.727 175.307 174.600 -0.033 0.000 0.996 233 S CA 0.107 58.290 58.200 -0.027 0.000 0.942 233 S CB -0.172 63.017 63.200 -0.019 0.000 0.768 233 S HN 0.518 8.828 8.310 -0.000 0.000 0.520 234 D N 3.514 123.895 120.400 -0.031 0.000 2.520 234 D HA 0.118 4.759 4.640 0.002 0.000 0.243 234 D C -1.549 174.730 176.300 -0.036 0.000 1.160 234 D CA -1.713 52.272 54.000 -0.024 0.000 0.877 234 D CB 0.961 41.754 40.800 -0.012 0.000 1.150 234 D HN 0.043 8.413 8.370 -0.000 0.000 0.494 235 P HA -0.177 4.243 4.420 -0.000 0.000 0.215 235 P C 1.177 178.448 177.300 -0.048 0.000 1.153 235 P CA 1.266 64.331 63.100 -0.059 0.000 0.853 235 P CB 0.201 31.876 31.700 -0.042 0.000 0.788 236 K N -0.428 119.961 120.400 -0.019 0.000 2.113 236 K HA -0.095 4.226 4.320 0.002 0.000 0.208 236 K C 1.995 178.606 176.600 0.019 0.000 1.047 236 K CA 1.123 57.410 56.287 0.002 0.000 0.928 236 K CB -1.421 31.086 32.500 0.010 0.000 0.716 236 K HN 0.134 8.384 8.250 -0.000 0.000 0.446 237 V N 1.391 121.320 119.914 0.026 0.000 2.407 237 V HA -0.220 3.901 4.120 0.002 0.000 0.248 237 V C 2.443 178.600 176.094 0.105 0.000 1.055 237 V CA 1.797 64.154 62.300 0.095 0.000 1.049 237 V CB -0.405 31.480 31.823 0.105 0.000 0.662 237 V HN 0.411 8.601 8.190 -0.000 0.000 0.455 238 E N -0.053 120.088 120.200 -0.098 0.000 2.072 238 E HA -0.254 4.097 4.350 0.002 0.000 0.191 238 E C 2.287 178.870 176.600 -0.028 0.000 0.985 238 E CA 1.298 57.463 56.400 -0.392 0.000 0.801 238 E CB -0.037 29.281 29.700 -0.636 0.000 0.750 238 E HN 0.700 9.060 8.360 -0.000 0.000 0.452 239 E N 0.361 120.567 120.200 0.010 0.000 2.058 239 E HA -0.266 4.085 4.350 0.002 0.000 0.194 239 E C 1.980 178.638 176.600 0.097 0.000 0.997 239 E CA 1.420 57.861 56.400 0.069 0.000 0.801 239 E CB 0.053 29.768 29.700 0.026 0.000 0.746 239 E HN -0.079 8.281 8.360 -0.000 0.000 0.450 240 K N 0.403 120.848 120.400 0.075 0.000 2.155 240 K HA -0.006 4.316 4.320 0.002 0.000 0.203 240 K C 1.647 178.280 176.600 0.055 0.000 1.052 240 K CA 1.222 57.550 56.287 0.069 0.000 0.948 240 K CB -0.317 32.221 32.500 0.065 0.000 0.728 240 K HN 0.180 8.430 8.250 -0.000 0.000 0.448 241 A N -0.159 122.702 122.820 0.068 0.000 1.858 241 A HA -0.070 4.251 4.320 0.002 0.000 0.216 241 A C 2.099 179.595 177.584 -0.147 0.000 1.190 241 A CA 1.436 53.448 52.037 -0.042 0.000 0.617 241 A CB -0.942 18.126 19.000 0.113 0.000 0.827 241 A HN 0.365 8.515 8.150 -0.000 0.000 0.443 242 F N -0.076 119.910 119.950 0.061 0.000 2.293 242 F HA -0.106 4.423 4.527 0.002 0.000 0.300 242 F C 2.357 178.142 175.800 -0.025 0.000 1.086 242 F CA 1.420 59.428 58.000 0.014 0.000 1.375 242 F CB 0.027 39.053 39.000 0.043 0.000 1.045 242 F HN 0.420 8.720 8.300 -0.000 0.000 0.516 243 E N 0.051 120.336 120.200 0.142 0.000 2.047 243 E HA -0.172 4.179 4.350 0.002 0.000 0.191 243 E C 1.999 178.660 176.600 0.102 0.000 0.987 243 E CA 1.800 58.251 56.400 0.085 0.000 0.799 243 E CB -0.079 29.674 29.700 0.088 0.000 0.752 243 E HN 0.232 8.592 8.360 -0.000 0.000 0.449 244 T N 1.792 116.380 114.554 0.057 0.000 2.652 244 T HA -0.164 4.188 4.350 0.002 0.000 0.267 244 T C 1.931 176.671 174.700 0.066 0.000 1.039 244 T CA 1.419 63.545 62.100 0.044 0.000 1.153 244 T CB -0.306 68.454 68.868 -0.180 0.000 0.863 244 T HN 0.159 8.399 8.240 -0.000 0.000 0.428 245 L N 1.724 122.838 121.223 -0.181 0.000 2.079 245 L HA -0.154 4.187 4.340 0.002 0.000 0.210 245 L C 2.873 179.845 176.870 0.169 0.000 1.081 245 L CA 1.527 56.211 54.840 -0.261 0.000 0.752 245 L CB -0.917 40.723 42.059 -0.699 0.000 0.896 245 L HN 0.405 8.635 8.230 -0.000 0.000 0.433 246 S N -1.147 114.629 115.700 0.128 0.000 2.465 246 S HA -0.216 4.255 4.470 0.002 0.000 0.241 246 S C 1.691 176.340 174.600 0.081 0.000 1.000 246 S CA 0.957 59.203 58.200 0.078 0.000 0.964 246 S CB -0.682 62.448 63.200 -0.115 0.000 0.763 246 S HN 0.453 8.763 8.310 -0.000 0.000 0.512 247 Y N 0.136 120.470 120.300 0.057 0.000 2.546 247 Y HA 0.319 4.870 4.550 0.002 0.000 0.287 247 Y C 0.972 176.781 175.900 -0.152 0.000 1.158 247 Y CA 0.112 58.129 58.100 -0.138 0.000 1.307 247 Y CB -0.136 37.730 38.460 -0.990 0.000 1.036 247 Y HN 0.341 8.621 8.280 -0.000 0.000 0.532 248 F N -1.909 118.373 119.950 0.554 0.000 2.746 248 F HA 0.163 4.691 4.527 0.002 0.000 0.320 248 F C 0.575 176.704 175.800 0.549 0.000 1.097 248 F CA -0.757 57.575 58.000 0.553 0.000 1.195 248 F CB 0.318 39.510 39.000 0.320 0.000 1.056 248 F HN -0.242 8.058 8.300 -0.000 0.000 0.562 249 D N 1.803 122.571 120.400 0.612 0.000 2.425 249 D HA 0.059 4.700 4.640 0.002 0.000 0.247 249 D C 1.381 177.767 176.300 0.144 0.000 1.147 249 D CA 0.345 54.568 54.000 0.372 0.000 0.879 249 D CB 1.180 42.156 40.800 0.294 0.000 1.179 249 D HN 0.182 8.552 8.370 -0.000 0.000 0.456 250 L N 4.446 125.686 121.223 0.028 0.000 2.131 250 L HA -0.163 4.178 4.340 0.002 0.000 0.210 250 L C 2.331 179.129 176.870 -0.121 0.000 1.092 250 L CA 0.716 55.539 54.840 -0.029 0.000 0.759 250 L CB -0.433 41.605 42.059 -0.035 0.000 0.903 250 L HN 0.614 8.844 8.230 -0.000 0.000 0.435 251 I N -2.922 117.546 120.570 -0.170 0.000 2.850 251 I HA -0.179 3.992 4.170 0.002 0.000 0.266 251 I C 1.724 177.488 176.117 -0.587 0.000 1.257 251 I CA 1.311 62.394 61.300 -0.363 0.000 1.465 251 I CB -0.349 37.451 38.000 -0.333 0.000 1.091 251 I HN 0.252 8.462 8.210 -0.000 0.000 0.467 252 N N 0.958 119.402 118.700 -0.427 0.000 2.414 252 N HA 0.203 4.944 4.740 0.002 0.000 0.177 252 N C 1.773 176.903 175.510 -0.633 0.000 1.062 252 N CA 0.713 53.385 53.050 -0.630 0.000 0.890 252 N CB 0.368 38.423 38.487 -0.719 0.000 1.070 252 N HN 0.404 8.784 8.380 -0.000 0.000 0.454 253 L N 0.495 121.523 121.223 -0.325 0.000 2.354 253 L HA 0.223 4.565 4.340 0.002 0.000 0.212 253 L C 2.293 179.015 176.870 -0.247 0.000 1.091 253 L CA 0.244 54.902 54.840 -0.303 0.000 0.828 253 L CB -0.248 41.751 42.059 -0.099 0.000 0.973 253 L HN -0.007 8.223 8.230 -0.000 0.000 0.461 254 A N 0.814 123.521 122.820 -0.188 0.000 1.958 254 A HA -0.230 4.092 4.320 0.002 0.000 0.221 254 A C 2.354 179.892 177.584 -0.076 0.000 1.178 254 A CA 1.959 53.937 52.037 -0.099 0.000 0.642 254 A CB -1.309 17.653 19.000 -0.063 0.000 0.816 254 A HN 0.450 8.600 8.150 -0.000 0.000 0.453 255 G N -1.919 106.786 108.800 -0.159 0.000 2.485 255 G HA2 -0.233 3.728 3.960 0.002 0.000 0.221 255 G HA3 -0.233 3.728 3.960 0.002 0.000 0.221 255 G C 1.064 176.038 174.900 0.124 0.000 1.115 255 G CA 0.900 45.958 45.100 -0.071 0.000 0.751 255 G HN 0.645 8.935 8.290 -0.000 0.000 0.567 256 W N 0.471 121.760 121.300 -0.019 0.000 3.256 256 W HA 0.396 5.057 4.660 0.002 0.000 0.269 256 W C 0.142 176.641 176.519 -0.034 0.000 1.310 256 W CA -1.196 56.139 57.345 -0.017 0.000 1.673 256 W CB -0.707 28.747 29.460 -0.009 0.000 1.115 256 W HN -0.171 8.009 8.180 -0.000 0.000 0.686 257 V N 2.842 122.849 119.914 0.155 0.000 2.408 257 V HA 0.128 4.249 4.120 0.002 0.000 0.267 257 V C 0.976 177.103 176.094 0.053 0.000 1.047 257 V CA -0.082 62.264 62.300 0.076 0.000 0.937 257 V CB 1.254 33.096 31.823 0.032 0.000 0.999 257 V HN -0.164 8.026 8.190 -0.000 0.000 0.472 258 K N 2.778 123.201 120.400 0.040 0.000 2.374 258 K HA 0.262 4.584 4.320 0.002 0.000 0.202 258 K C 0.409 177.017 176.600 0.013 0.000 1.040 258 K CA -0.060 56.242 56.287 0.025 0.000 1.085 258 K CB 0.727 33.239 32.500 0.020 0.000 0.873 258 K HN 0.644 8.894 8.250 -0.000 0.000 0.539 259 Q N 0.869 120.676 119.800 0.012 0.000 2.260 259 Q HA 0.268 4.609 4.340 0.002 0.000 0.238 259 Q C -2.521 173.488 176.000 0.014 0.000 0.948 259 Q CA -1.895 53.910 55.803 0.003 0.000 0.895 259 Q CB 0.217 28.957 28.738 0.004 0.000 1.218 259 Q HN -0.142 8.128 8.270 -0.000 0.000 0.470 260 P HA 0.062 4.482 4.420 -0.000 0.000 0.267 260 P C -1.111 176.289 177.300 0.165 0.000 1.205 260 P CA 0.136 63.267 63.100 0.052 0.000 0.765 260 P CB 0.770 32.395 31.700 -0.126 0.000 0.828 261 T N 3.888 118.516 114.554 0.124 0.000 2.848 261 T HA 0.502 4.854 4.350 0.002 0.000 0.285 261 T C -0.839 173.794 174.700 -0.112 0.000 0.995 261 T CA -0.412 61.705 62.100 0.027 0.000 0.970 261 T CB 0.797 69.683 68.868 0.031 0.000 0.976 261 T HN 0.115 8.355 8.240 -0.000 0.000 0.441 262 L N 4.135 125.129 121.223 -0.381 0.000 2.313 262 L HA 0.781 5.122 4.340 0.002 0.000 0.283 262 L C -0.979 175.806 176.870 -0.141 0.000 1.013 262 L CA -0.377 54.209 54.840 -0.424 0.000 0.816 262 L CB 1.039 42.490 42.059 -1.013 0.000 1.236 262 L HN 0.707 8.937 8.230 -0.000 0.000 0.419 263 M N 3.759 123.297 119.600 -0.103 0.000 2.658 263 M HA 0.864 5.345 4.480 0.002 0.000 0.295 263 M C -0.913 175.142 176.300 -0.408 0.000 1.248 263 M CA -0.711 54.475 55.300 -0.190 0.000 0.843 263 M CB 2.405 34.870 32.600 -0.224 0.000 1.749 263 M HN 0.715 9.005 8.290 -0.000 0.000 0.464 264 A N 1.619 124.041 122.820 -0.664 0.000 2.498 264 A HA 0.953 5.274 4.320 0.002 0.000 0.298 264 A C -1.856 175.504 177.584 -0.373 0.000 1.075 264 A CA -0.557 50.990 52.037 -0.818 0.000 0.714 264 A CB 1.805 19.690 19.000 -1.859 0.000 1.299 264 A HN 0.728 8.877 8.150 -0.000 0.000 0.407 265 I N 0.359 120.816 120.570 -0.188 0.000 2.680 265 I HA 0.638 4.809 4.170 0.002 0.000 0.291 265 I C 0.001 176.192 176.117 0.124 0.000 1.244 265 I CA -0.083 61.225 61.300 0.014 0.000 1.042 265 I CB 2.016 39.961 38.000 -0.092 0.000 1.277 265 I HN 0.895 9.105 8.210 -0.000 0.000 0.423 266 G N 6.761 115.667 108.800 0.177 0.000 2.322 266 G HA2 0.459 4.420 3.960 0.002 0.000 0.309 266 G HA3 0.459 4.420 3.960 0.002 0.000 0.309 266 G C 0.518 175.503 174.900 0.143 0.000 1.121 266 G CA -0.544 44.680 45.100 0.207 0.000 0.886 266 G HN 0.748 9.038 8.290 -0.000 0.000 0.447 267 L N 2.440 123.734 121.223 0.118 0.000 2.549 267 L HA 0.015 4.357 4.340 0.002 0.000 0.230 267 L C 1.765 178.664 176.870 0.049 0.000 1.162 267 L CA 0.909 55.792 54.840 0.072 0.000 0.834 267 L CB -0.249 41.818 42.059 0.013 0.000 0.947 267 L HN 0.749 8.979 8.230 -0.000 0.000 0.452 268 I N -4.750 115.855 120.570 0.058 0.000 3.877 268 I HA 0.250 4.421 4.170 0.002 0.000 0.332 268 I C 0.174 176.322 176.117 0.051 0.000 1.525 268 I CA -0.517 60.809 61.300 0.043 0.000 1.146 268 I CB 0.037 38.058 38.000 0.035 0.000 1.137 268 I HN -0.119 8.091 8.210 -0.000 0.000 0.424 269 D N 3.057 123.495 120.400 0.064 0.000 2.401 269 D HA 0.060 4.701 4.640 0.002 0.000 0.254 269 D C 0.511 176.847 176.300 0.061 0.000 1.192 269 D CA 0.343 54.380 54.000 0.061 0.000 0.885 269 D CB 1.253 42.094 40.800 0.069 0.000 1.147 269 D HN 0.381 8.751 8.370 -0.000 0.000 0.478 270 K N 3.159 123.585 120.400 0.044 0.000 2.354 270 K HA 0.196 4.517 4.320 0.002 0.000 0.194 270 K C 1.524 178.147 176.600 0.038 0.000 1.038 270 K CA 0.053 56.365 56.287 0.043 0.000 1.052 270 K CB 0.931 33.452 32.500 0.035 0.000 0.861 270 K HN 0.434 8.684 8.250 -0.000 0.000 0.535 271 I N 0.760 121.309 120.570 -0.035 0.000 2.512 271 I HA -0.082 4.089 4.170 0.002 0.000 0.247 271 I C 0.699 176.836 176.117 0.033 0.000 1.094 271 I CA 0.774 61.987 61.300 -0.144 0.000 1.427 271 I CB 0.236 37.865 38.000 -0.617 0.000 1.149 271 I HN 0.019 8.229 8.210 -0.000 0.000 0.438 272 T N 0.291 114.881 114.554 0.060 0.000 3.149 272 T HA 0.412 4.763 4.350 0.002 0.000 0.373 272 T C -2.567 172.283 174.700 0.251 0.000 1.364 272 T CA -2.071 60.215 62.100 0.310 0.000 1.110 272 T CB 0.337 69.438 68.868 0.388 0.000 1.127 272 T HN -0.159 8.081 8.240 -0.000 0.000 0.576 273 P HA 0.092 4.512 4.420 -0.000 0.000 0.264 273 P C -1.743 175.656 177.300 0.166 0.000 1.183 273 P CA -1.033 62.151 63.100 0.140 0.000 0.763 273 P CB 0.202 31.951 31.700 0.082 0.000 0.807 274 P HA -0.281 4.139 4.420 -0.000 0.000 0.216 274 P C 1.547 179.047 177.300 0.333 0.000 1.154 274 P CA 2.156 65.411 63.100 0.257 0.000 0.865 274 P CB -0.320 31.491 31.700 0.185 0.000 0.789 275 S N -1.366 114.419 115.700 0.142 0.000 2.399 275 S HA -0.183 4.288 4.470 0.002 0.000 0.231 275 S C 1.963 176.747 174.600 0.306 0.000 1.022 275 S CA 1.999 60.264 58.200 0.108 0.000 0.983 275 S CB -2.130 60.934 63.200 -0.227 0.000 0.803 275 S HN 0.322 8.632 8.310 -0.000 0.000 0.480 276 T N 0.078 114.761 114.554 0.215 0.000 2.821 276 T HA 0.052 4.404 4.350 0.002 0.000 0.267 276 T C 1.779 176.609 174.700 0.215 0.000 1.046 276 T CA 1.072 63.288 62.100 0.194 0.000 1.139 276 T CB -0.869 68.061 68.868 0.104 0.000 0.871 276 T HN 0.257 8.497 8.240 -0.000 0.000 0.454 277 V N 0.215 120.271 119.914 0.237 0.000 2.379 277 V HA 0.053 4.174 4.120 0.002 0.000 0.245 277 V C 2.332 178.517 176.094 0.152 0.000 1.044 277 V CA 1.225 63.624 62.300 0.164 0.000 1.036 277 V CB -0.917 30.975 31.823 0.115 0.000 0.664 277 V HN 0.348 8.538 8.190 -0.000 0.000 0.453 278 F N 0.922 120.961 119.950 0.149 0.000 2.171 278 F HA -0.110 4.418 4.527 0.002 0.000 0.300 278 F C 2.430 178.341 175.800 0.185 0.000 1.090 278 F CA 1.344 59.453 58.000 0.182 0.000 1.293 278 F CB -0.756 38.353 39.000 0.181 0.000 1.013 278 F HN 0.083 8.383 8.300 -0.000 0.000 0.486 279 A N 0.100 123.137 122.820 0.362 0.000 1.865 279 A HA -0.181 4.141 4.320 0.002 0.000 0.217 279 A C 2.437 180.110 177.584 0.148 0.000 1.191 279 A CA 2.099 54.215 52.037 0.132 0.000 0.623 279 A CB -1.407 17.657 19.000 0.107 0.000 0.826 279 A HN 0.322 8.472 8.150 -0.000 0.000 0.444 280 A N -1.688 121.221 122.820 0.147 0.000 1.877 280 A HA -0.118 4.203 4.320 0.002 0.000 0.216 280 A C 2.178 179.830 177.584 0.114 0.000 1.186 280 A CA 1.780 53.882 52.037 0.108 0.000 0.620 280 A CB -0.880 18.160 19.000 0.067 0.000 0.822 280 A HN 0.762 8.912 8.150 -0.000 0.000 0.443 281 Y N 1.556 121.848 120.300 -0.014 0.000 2.145 281 Y HA -0.203 4.349 4.550 0.002 0.000 0.286 281 Y C 1.910 177.788 175.900 -0.037 0.000 1.145 281 Y CA 2.105 60.170 58.100 -0.057 0.000 1.148 281 Y CB -0.281 38.090 38.460 -0.148 0.000 0.981 281 Y HN 0.327 8.607 8.280 -0.000 0.000 0.507 282 N N -0.768 117.887 118.700 -0.076 0.000 2.573 282 N HA -0.147 4.595 4.740 0.002 0.000 0.187 282 N C 1.026 176.351 175.510 -0.309 0.000 1.107 282 N CA 0.964 53.880 53.050 -0.223 0.000 0.918 282 N CB -0.366 38.048 38.487 -0.121 0.000 0.966 282 N HN 0.544 8.924 8.380 -0.000 0.000 0.448 283 H N -0.261 118.709 119.070 -0.166 0.000 2.551 283 H HA 0.250 4.808 4.556 0.002 0.000 0.271 283 H C 0.276 175.507 175.328 -0.161 0.000 0.984 283 H CA -0.121 55.832 56.048 -0.159 0.000 1.164 283 H CB 0.794 30.465 29.762 -0.153 0.000 1.437 283 H HN 0.086 8.366 8.280 -0.000 0.000 0.550 284 L N 1.687 122.846 121.223 -0.105 0.000 2.331 284 L HA 0.141 4.482 4.340 0.002 0.000 0.278 284 L C 0.307 177.096 176.870 -0.135 0.000 1.106 284 L CA 0.246 55.016 54.840 -0.117 0.000 0.824 284 L CB 0.954 42.914 42.059 -0.164 0.000 1.142 284 L HN 0.013 8.243 8.230 -0.000 0.000 0.443 285 E N 2.550 122.709 120.200 -0.069 0.000 3.037 285 E HA 0.310 4.661 4.350 0.002 0.000 0.220 285 E C -0.733 175.849 176.600 -0.030 0.000 1.142 285 E CA -0.148 56.218 56.400 -0.056 0.000 0.888 285 E CB 1.583 31.267 29.700 -0.027 0.000 1.329 285 E HN 0.559 8.919 8.360 -0.000 0.000 0.409 286 T N 0.521 115.051 114.554 -0.040 0.000 2.700 286 T HA 0.100 4.451 4.350 0.002 0.000 0.307 286 T C -1.577 173.120 174.700 -0.004 0.000 1.580 286 T CA -0.814 61.279 62.100 -0.011 0.000 0.992 286 T CB 1.101 69.970 68.868 0.001 0.000 1.577 286 T HN 0.113 8.353 8.240 -0.000 0.000 0.496 287 D N 2.323 122.737 120.400 0.023 0.000 2.434 287 D HA 0.415 5.057 4.640 0.002 0.000 0.252 287 D C 0.086 176.430 176.300 0.075 0.000 1.185 287 D CA 0.624 54.656 54.000 0.053 0.000 0.886 287 D CB 0.316 41.160 40.800 0.072 0.000 1.148 287 D HN 0.614 8.984 8.370 -0.000 0.000 0.483 288 K N 0.605 121.057 120.400 0.087 0.000 2.536 288 K HA 0.723 5.045 4.320 0.002 0.000 0.269 288 K C -1.695 175.033 176.600 0.215 0.000 0.965 288 K CA -1.081 55.290 56.287 0.141 0.000 0.860 288 K CB 2.302 34.859 32.500 0.095 0.000 1.423 288 K HN 0.154 8.404 8.250 -0.000 0.000 0.438 289 D N 1.000 121.533 120.400 0.222 0.000 2.927 289 D HA 0.352 4.993 4.640 0.002 0.000 0.219 289 D C -2.082 174.152 176.300 -0.110 0.000 1.248 289 D CA -0.555 53.513 54.000 0.113 0.000 0.861 289 D CB 1.975 42.814 40.800 0.066 0.000 1.677 289 D HN 0.492 8.862 8.370 -0.000 0.000 0.511 290 L N 3.295 124.283 121.223 -0.392 0.000 2.319 290 L HA 0.526 4.868 4.340 0.002 0.000 0.281 290 L C -1.002 175.595 176.870 -0.454 0.000 1.005 290 L CA -0.524 53.891 54.840 -0.709 0.000 0.828 290 L CB 1.074 42.230 42.059 -1.505 0.000 1.227 290 L HN 0.184 8.414 8.230 -0.000 0.000 0.415 291 K N 4.847 125.024 120.400 -0.372 0.000 2.276 291 K HA 0.424 4.746 4.320 0.002 0.000 0.285 291 K C -0.959 175.250 176.600 -0.651 0.000 1.062 291 K CA -0.377 55.664 56.287 -0.409 0.000 0.918 291 K CB 1.618 34.041 32.500 -0.129 0.000 1.055 291 K HN 0.422 8.672 8.250 -0.000 0.000 0.477 292 V N 4.856 124.375 119.914 -0.658 0.000 2.370 292 V HA 0.254 4.376 4.120 0.002 0.000 0.279 292 V C -0.861 174.847 176.094 -0.644 0.000 1.029 292 V CA -0.820 61.182 62.300 -0.497 0.000 0.870 292 V CB 0.405 32.113 31.823 -0.193 0.000 0.984 292 V HN 0.495 8.685 8.190 -0.000 0.000 0.451 293 Y N 4.361 124.656 120.300 -0.010 0.000 2.464 293 Y HA 0.446 4.997 4.550 0.002 0.000 0.326 293 Y C 1.117 177.058 175.900 0.070 0.000 0.969 293 Y CA -0.949 57.192 58.100 0.068 0.000 1.270 293 Y CB 1.142 39.654 38.460 0.087 0.000 1.103 293 Y HN 0.606 8.886 8.280 -0.000 0.000 0.491 294 R N 1.577 122.095 120.500 0.030 0.000 2.113 294 R HA -0.226 4.116 4.340 0.002 0.000 0.244 294 R C 0.498 176.628 176.300 -0.285 0.000 1.142 294 R CA 2.096 58.052 56.100 -0.241 0.000 0.953 294 R CB -0.640 29.314 30.300 -0.575 0.000 0.860 294 R HN 0.679 8.949 8.270 -0.000 0.000 0.438 295 Y N -1.252 119.152 120.300 0.174 0.000 2.490 295 Y HA 0.269 4.821 4.550 0.002 0.000 0.281 295 Y C -0.147 175.627 175.900 -0.209 0.000 1.174 295 Y CA -0.347 57.741 58.100 -0.020 0.000 1.295 295 Y CB -0.013 38.383 38.460 -0.106 0.000 1.062 295 Y HN -0.114 8.166 8.280 -0.000 0.000 0.522 296 F N -0.952 119.086 119.950 0.148 0.000 2.523 296 F HA 0.684 5.212 4.527 0.002 0.000 0.329 296 F C 0.965 176.792 175.800 0.045 0.000 1.061 296 F CA -1.082 56.970 58.000 0.087 0.000 0.967 296 F CB 1.217 40.241 39.000 0.040 0.000 1.218 296 F HN -0.133 8.167 8.300 -0.000 0.000 0.480 297 G N -1.077 107.833 108.800 0.184 0.000 3.135 297 G HA2 0.173 4.134 3.960 0.002 0.000 0.159 297 G HA3 0.173 4.134 3.960 0.002 0.000 0.159 297 G C -1.363 173.512 174.900 -0.041 0.000 1.244 297 G CA -0.522 44.625 45.100 0.078 0.000 0.965 297 G HN 0.623 8.913 8.290 -0.000 0.000 0.599 298 H N 1.195 120.147 119.070 -0.196 0.000 3.224 298 H HA 0.386 4.943 4.556 0.002 0.000 0.265 298 H C 0.272 175.459 175.328 -0.235 0.000 1.461 298 H CA 0.498 56.279 56.048 -0.445 0.000 1.509 298 H CB -0.596 29.000 29.762 -0.277 0.000 1.686 298 H HN 0.557 8.837 8.280 -0.000 0.000 0.514 299 E N 2.637 122.657 120.200 -0.300 0.000 2.435 299 E HA 0.068 4.419 4.350 0.002 0.000 0.277 299 E C -1.294 175.414 176.600 0.180 0.000 1.106 299 E CA -1.134 55.286 56.400 0.034 0.000 0.868 299 E CB 0.423 30.215 29.700 0.153 0.000 1.454 299 E HN 0.227 8.587 8.360 -0.000 0.000 0.452 300 F N 1.984 121.994 119.950 0.100 0.000 2.541 300 F HA 0.348 4.877 4.527 0.002 0.000 0.378 300 F C -0.393 175.403 175.800 -0.008 0.000 1.068 300 F CA -0.002 58.045 58.000 0.078 0.000 1.199 300 F CB 0.321 39.356 39.000 0.058 0.000 1.091 300 F HN 0.290 8.590 8.300 -0.000 0.000 0.555 301 I N 9.839 129.937 120.570 -0.786 0.000 2.371 301 I HA 0.191 4.362 4.170 0.002 0.000 0.282 301 I C -1.750 173.656 176.117 -1.185 0.000 1.031 301 I CA -1.854 58.808 61.300 -1.064 0.000 1.180 301 I CB 1.209 38.557 38.000 -1.087 0.000 1.336 301 I HN 0.498 8.708 8.210 -0.000 0.000 0.467 302 P HA -0.290 4.130 4.420 -0.000 0.000 0.217 302 P C 1.638 178.700 177.300 -0.398 0.000 1.162 302 P CA 1.731 64.512 63.100 -0.531 0.000 0.901 302 P CB 0.322 31.946 31.700 -0.127 0.000 0.793 303 A N -1.415 121.152 122.820 -0.421 0.000 1.917 303 A HA -0.235 4.086 4.320 0.002 0.000 0.219 303 A C 2.124 179.616 177.584 -0.154 0.000 1.182 303 A CA 1.699 53.598 52.037 -0.231 0.000 0.633 303 A CB -1.869 17.025 19.000 -0.175 0.000 0.819 303 A HN 0.183 8.333 8.150 -0.000 0.000 0.448 304 F N 0.288 119.936 119.950 -0.504 0.000 2.407 304 F HA -0.065 4.464 4.527 0.002 0.000 0.299 304 F C 2.230 177.912 175.800 -0.197 0.000 1.097 304 F CA 1.686 59.532 58.000 -0.256 0.000 1.422 304 F CB -0.241 38.565 39.000 -0.324 0.000 1.067 304 F HN 0.308 8.608 8.300 -0.000 0.000 0.539 305 Q N 0.139 119.754 119.800 -0.307 0.000 2.124 305 Q HA -0.141 4.200 4.340 0.002 0.000 0.202 305 Q C 2.029 177.916 176.000 -0.188 0.000 0.977 305 Q CA 2.515 58.173 55.803 -0.242 0.000 0.850 305 Q CB -0.801 27.858 28.738 -0.132 0.000 0.901 305 Q HN 0.344 8.614 8.270 -0.000 0.000 0.429 306 T N 0.987 115.456 114.554 -0.142 0.000 2.777 306 T HA -0.093 4.258 4.350 0.002 0.000 0.266 306 T C 1.341 175.989 174.700 -0.087 0.000 1.040 306 T CA 1.274 63.332 62.100 -0.071 0.000 1.141 306 T CB -0.126 68.726 68.868 -0.026 0.000 0.868 306 T HN 0.337 8.577 8.240 -0.000 0.000 0.444 307 E N 1.348 121.450 120.200 -0.163 0.000 2.051 307 E HA -0.113 4.238 4.350 0.002 0.000 0.192 307 E C 2.196 178.660 176.600 -0.226 0.000 0.991 307 E CA 0.953 57.253 56.400 -0.166 0.000 0.799 307 E CB -0.244 29.344 29.700 -0.187 0.000 0.748 307 E HN 0.457 8.817 8.360 -0.000 0.000 0.449 308 K N 0.878 120.991 120.400 -0.479 0.000 2.009 308 K HA -0.126 4.195 4.320 0.002 0.000 0.210 308 K C 2.409 179.020 176.600 0.019 0.000 1.049 308 K CA 0.993 57.089 56.287 -0.320 0.000 0.929 308 K CB -0.164 32.108 32.500 -0.380 0.000 0.714 308 K HN 0.030 8.280 8.250 -0.000 0.000 0.440 309 L N 0.285 121.524 121.223 0.028 0.000 2.046 309 L HA -0.197 4.144 4.340 0.002 0.000 0.208 309 L C 2.700 179.661 176.870 0.153 0.000 1.077 309 L CA 1.262 56.175 54.840 0.122 0.000 0.747 309 L CB -0.485 41.606 42.059 0.053 0.000 0.896 309 L HN 0.275 8.505 8.230 -0.000 0.000 0.432 310 S N -0.390 115.374 115.700 0.106 0.000 2.348 310 S HA -0.223 4.249 4.470 0.002 0.000 0.221 310 S C 1.964 176.651 174.600 0.146 0.000 1.033 310 S CA 1.291 59.556 58.200 0.108 0.000 1.010 310 S CB -0.346 62.902 63.200 0.080 0.000 0.891 310 S HN 0.397 8.707 8.310 -0.000 0.000 0.442 311 F N 2.002 121.968 119.950 0.027 0.000 2.095 311 F HA -0.072 4.456 4.527 0.002 0.000 0.298 311 F C 1.829 177.725 175.800 0.161 0.000 1.104 311 F CA 1.657 59.712 58.000 0.092 0.000 1.232 311 F CB -0.303 38.738 39.000 0.067 0.000 0.987 311 F HN 0.190 8.490 8.300 -0.000 0.000 0.475 312 L N -0.134 121.240 121.223 0.251 0.000 2.141 312 L HA -0.208 4.133 4.340 0.002 0.000 0.209 312 L C 2.564 179.559 176.870 0.208 0.000 1.094 312 L CA 1.496 56.432 54.840 0.161 0.000 0.763 312 L CB -0.847 41.269 42.059 0.094 0.000 0.908 312 L HN 0.300 8.530 8.230 -0.000 0.000 0.437 313 Q N 0.633 120.556 119.800 0.205 0.000 2.079 313 Q HA -0.250 4.091 4.340 0.002 0.000 0.200 313 Q C 2.293 178.301 176.000 0.013 0.000 0.974 313 Q CA 1.585 57.482 55.803 0.157 0.000 0.840 313 Q CB 0.094 28.912 28.738 0.132 0.000 0.898 313 Q HN 0.344 8.614 8.270 -0.000 0.000 0.430 314 K N -0.747 119.590 120.400 -0.105 0.000 2.057 314 K HA -0.185 4.137 4.320 0.002 0.000 0.207 314 K C 1.608 177.980 176.600 -0.381 0.000 1.049 314 K CA 1.507 57.621 56.287 -0.288 0.000 0.931 314 K CB -0.041 32.182 32.500 -0.462 0.000 0.714 314 K HN 0.403 8.653 8.250 -0.000 0.000 0.440 315 H N -0.631 118.322 119.070 -0.196 0.000 2.562 315 H HA 0.106 4.664 4.556 0.002 0.000 0.267 315 H C 1.665 176.954 175.328 -0.065 0.000 0.959 315 H CA 0.835 56.772 56.048 -0.185 0.000 1.204 315 H CB 0.589 30.129 29.762 -0.369 0.000 1.430 315 H HN 0.224 8.504 8.280 -0.000 0.000 0.545 316 L N -0.709 120.580 121.223 0.109 0.000 2.758 316 L HA 0.141 4.482 4.340 0.002 0.000 0.234 316 L C 0.479 177.426 176.870 0.128 0.000 1.049 316 L CA -0.046 54.890 54.840 0.160 0.000 0.908 316 L CB 0.392 42.622 42.059 0.284 0.000 1.362 316 L HN -0.035 8.195 8.230 -0.000 0.000 0.499 317 L N 0.000 121.286 121.223 0.105 0.000 2.949 317 L HA 0.000 4.341 4.340 0.002 0.000 0.249 317 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 317 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 317 L HN 0.000 8.230 8.230 -0.000 0.000 0.502